diff --git a/pipelines/tbvar3d/tbvar3d_targets.csv b/pipelines/tbvar3d/tbvar3d_targets.csv index 5b8628b3a78789269a753ab732e653643b628ff2..20857c8ca959d6e89bffd152ff1121cc50b9f91f 100644 --- a/pipelines/tbvar3d/tbvar3d_targets.csv +++ b/pipelines/tbvar3d/tbvar3d_targets.csv @@ -1,103 +1,103 @@ -prot_uniprotid,prot_myctu,prot_fullname,prot_genename,prot_length,drug_pubchemid,drug_name,drug_group,lipinski,needs_drug,complex_with_dna,method_structure,method_ligand,oligomeric_state,pdbid_exp,pdbid_hom,pdbid_biounit,pdbid_chain,pdbid_trans,pdbligandid_trans,pdbligandid,tanimoto,prot_uniprotid_heteromer,drug_pmid_activated-form,mechanism,Proof_ligand_binding -P9WIE5,Rv1908c,Catalase-peroxidase,katG,740,3767,Isoniazid,ungrouped,4,1,0,Exp,Trans,homo-2-mer,1sj2,,1,AB,6cdq,NIZ,NIZ,,,,abrogated_prodrug_activation, -P9WH87,Rv0701,50S ribosomal protein L3,rplC,217,441401,Linezolid,ungrouped,4,1,1,Exp,Sup,hetero-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-mer,5v7q,,1,J,5v7q,917,UNK,"0,6552901024",,,drug_target_alteration, -P9WH67,Rv0700,30S ribosomal protein S10,rpsJ,101,441401,Linezolid,ungrouped,4,1,1,Exp,,hetero-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-mer,5v93,,1,e,,,,,,,unclear, -P9WM53,Rv1259,Type-5 uracil-DNA glycosylase,udgB,268,3767,Isoniazid,ungrouped,4,0,0,AF2,,monomer,,,1,A,,,,,,,unclear,https://doi.org/10.1371/journal.ppat.1009452 -P9WM53,Rv1259,Type-5 uracil-DNA glycosylase,udgB,268,19649,Streptomycin,aminoglycoside,0,0,0,AF2,,monomer,,,1,A,,,,,,,unclear,https://doi.org/10.1371/journal.ppat.1009452 -P9WM53,Rv1259,Type-5 uracil-DNA glycosylase,udgB,268,1046,Pyrazinamide,ungrouped,4,0,0,AF2,,monomer,,,1,A,,,,,,,unclear,https://doi.org/10.1371/journal.ppat.1009452 -P9WN03,Rv3792,Galactan 5-O-arabinofuranosyltransferase,aftA,643,14052,Ethambutol,ungrouped,4,0,0,AF2,,monomer,,,1,A,,,,,,,unclear,https://doi.org/10.1042/BST0351325 -P9WP79,Rv3262,Bifunctional F420 biosynthesis protein FbiB,fbiB,448,6480466,Delamanid,ungrouped,1,1,0,Exp,,homo-2-mer,4xoq,,1,AB,,,,,,,abrogated_prodrug_activation,https://doi.org/10.1016/j.tube.2017.12.006 -P9WNL9,Rv3794,Probable arabinosyltransferase A,embA,1094,14052,Ethambutol,ungrouped,4,1,0,Exp,Exp,hetero-1-1-1-mer,7bvf,,1,B,,,95E,,"P9WNL5, P9WNL7",,drug_target_alteration, -P9WIQ1,Rv3809c,UDP-galactopyranose mutase,glf,399,14052,Ethambutol,ungrouped,4,1,0,Exp,,homo-2-mer,4rpj,,1,AB,,,,,,,unclear, -O05882,Rv3237c,Conserved protein,Rv3237c,160,1046,Pyrazinamide,ungrouped,4,1,0,AF2,,monomer,,,1,A,,,,,,,unclear, -P9WGJ9,Rv1267c,Transcriptional regulatory protein EmbR,embR,388,14052,Ethambutol,ungrouped,4,0,0,Exp,,monomer,2fez,,1,A,,,,,,,gene_regulation, -P9WFK7,Rv2416c,N-acetyltransferase Eis,eis,402,37768,Amikacin,aminoglycoside,0,0,0,Exp,,homo-6-mer,3uy5,,1,ABCDEF,,,,,,,abrogation_of_drug_inactivating_enzyme, -P9WFK7,Rv2416c,N-acetyltransferase Eis,eis,402,6032,Kanamycin,aminoglycoside,1,0,0,Exp,,homo-6-mer,3uy5,,1,ABCDEF,,,,,,,abrogation_of_drug_inactivating_enzyme, -P9WJX9,Rv1258c,Multidrug efflux pump Tap,tap,419,3767,Isoniazid,ungrouped,4,0,0,AF2,,monomer,,,1,A,,,,,,,drug_efflux, -P9WJX9,Rv1258c,Multidrug efflux pump Tap,tap,419,19649,Streptomycin,aminoglycoside,0,0,0,AF2,,monomer,,,1,A,,,,,,,drug_efflux, -P9WJX9,Rv1258c,Multidrug efflux pump Tap,tap,419,1046,Pyrazinamide,ungrouped,4,0,0,AF2,,monomer,,,1,A,,,,,,,drug_efflux, -P9WFR5,Rv3806c,Decaprenyl-phosphate phosphoribosyltransferase,Rv3806c,302,37768,Amikacin,aminoglycoside,0,0,0,AF2,,monomer,,,1,A,,,,,,,unclear,https://doi.org/10.1016/j.tube.2014.12.002 -P9WFR5,Rv3806c,Decaprenyl-phosphate phosphoribosyltransferase,Rv3806c,302,3000502,Capreomycin,ungrouped,0,0,0,AF2,,monomer,,,1,A,,,,,,,unclear,https://doi.org/10.1016/j.tube.2014.12.002 -P9WFR5,Rv3806c,Decaprenyl-phosphate phosphoribosyltransferase,Rv3806c,302,14052,Ethambutol,ungrouped,4,0,0,AF2,,monomer,,,1,A,,,,,,,unclear,https://doi.org/10.1016/j.tube.2014.12.002 -P9WKW7,Rv3788,Uncharacterized protein Rv3788,Rv3788,161,14052,Ethambutol,ungrouped,4,0,0,AF2,,monomer,,,1,A,,,,,,,unclear, -P9WQB7,Rv2428,Alkyl hydroperoxide reductase C,ahpC,195,3767,Isoniazid,ungrouped,4,0,0,Exp,,homo-12-mer,7bz6,,1,ABCDEFGHIJKL,,,,,,,unclear, -P9WGY9,Rv0667,DNA-directed RNA polymerase subunit beta,rpoB,1178,135398735,Rifampicin,rifamycin,1,1,1,Exp,Exp,hetero-2-1-1-1-1-mer,5uhc,,1,C,,,RFP,,"P9WGZ1, P9WGZ1, P9WGY7, P9WGY5",,drug_target_alteration, -P9WGT3,Rv1483,3-oxoacyl-[acyl-carrier-protein] reductase MabA,mabA,247,3767,Isoniazid,ungrouped,4,0,0,Exp,,homo-4-mer,1uzn,,1,ABCD,,,,,,,unclear, -P9WGT3,Rv1483,3-oxoacyl-[acyl-carrier-protein] reductase MabA,mabA,247,2761171,Ethionamide,ungrouped,4,0,0,Exp,,homo-4-mer,1uzn,,1,ABCD,,,,,,,unclear, -P9WG45,Rv0005,DNA gyrase subunit B,gyrB,675,152946,Moxifloxacin,fluoroquinolone,4,1,1,AF2,Trans,hetero-2-2-mer,5bs8,,1,BD,5bs8,MFX,MFX,,P9WG47,,drug_target_alteration, -P9WG45,Rv0005,DNA gyrase subunit B,gyrB,675,149096,Levofloxacin,fluoroquinolone,4,1,1,AF2,Trans,hetero-2-2-mer,5btg,,1,BD,5btg,LFX,LFX,,P9WG47,,drug_target_alteration, -P9WQM5,Rv1979c,Uncharacterized transporter,Rv1979c,481,2794,Clofazimine,ungrouped,3,0,0,AF2,,monomer,,,1,A,,,,,,,drug_efflux, -P9WQM5,Rv1979c,Uncharacterized transporter,Rv1979c,481,5388906,Bedaquiline,ungrouped,2,0,0,AF2,,monomer,,,1,A,,,,,,,drug_efflux, -P9WF37,Rv3862c,Probable transcriptional regulator WhiB6,whiB6,116,37768,Amikacin,aminoglycoside,0,0,0,AF2,,monomer,,,1,A,,,,,,,gene_regulation, -P9WF37,Rv3862c,Probable transcriptional regulator WhiB6,whiB6,116,3000502,Capreomycin,ungrouped,0,0,0,AF2,,monomer,,,1,A,,,,,,,gene_regulation, -P9WF37,Rv3862c,Probable transcriptional regulator WhiB6,whiB6,116,19649,Streptomycin,aminoglycoside,0,0,0,AF2,,monomer,,,1,A,,,,,,,gene_regulation, -O53789,Rv0681,Uncharacterized HTH-type transcriptional regulator Rv0681,Rv0681,196,19649,Streptomycin,aminoglycoside,0,0,0,AF2,,homo-2-mer,,,1,AB,,,,,,,gene_regulation, -I6XD65,Rv2043c,Nicotinamidase/pyrazinamidase,pncA,186,1046,Pyrazinamide,ungrouped,4,1,0,Exp,Dock,monomer,3pl1,,1,A,,,PZA,,,,abrogated_prodrug_activation, -P9WNE1,Rv0407,F420-dependent glucose-6-phosphate dehydrogenase,fgd1,336,6480466,Delamanid,ungrouped,1,1,0,Exp,,homo-2-mer,3c8n,,1,AB,,,,,,,abrogated_prodrug_activation, -P9WN87,Rv1909c,Transcriptional regulator FurA,furA,147,3767,Isoniazid,ungrouped,4,0,0,AF2,,homo-2-mer,,,1,AB,,,,,,,gene_regulation, -P9WIN9,Rv1980c,Immunogenic protein MPT64,mpt64,228,2794,Clofazimine,ungrouped,3,0,0,Exp,,monomer,2hhi,,1,A,,,,,,,unclear, -P9WIN9,Rv1980c,Immunogenic protein MPT64,mpt64,228,5388906,Bedaquiline,ungrouped,2,0,0,Exp,,monomer,2hhi,,1,A,,,,,,,unclear, -P9WIQ3,Rv3106,NADPH-ferredoxin reductase FprA,fprA,456,37768,Amikacin,aminoglycoside,0,1,0,Exp,,homo-2-mer,2c7g,,1,AB,,,,,,,unclear, -P9WIQ3,Rv3106,NADPH-ferredoxin reductase FprA,fprA,456,3000502,Capreomycin,ungrouped,0,1,0,Exp,,homo-2-mer,2c7g,,1,AB,,,,,,,unclear, -P9WNF7,Rv3083,Putative FAD-containing monooxygenase MymA,mymA,495,2761171,Ethionamide,ungrouped,4,0,0,AF2,,monomer,,,1,A,,,,,,,unclear, -P9WIL3,Rv3601c,Aspartate 1-decarboxylase,panD,139,1046,Pyrazinamide,ungrouped,4,1,0,Exp,Exp,hetero-4-4-mer,6oyy,,1,ABCDEFGH,,,VGL,,,1047,drug_target_alteration, -Q79FI8,Rv1918c,PPE family protein PPE35,PPE35,987,1046,Pyrazinamide,ungrouped,4,1,0,AF2,,monomer,,,1,A,,,,,,,unclear, -P9WGR1,Rv1484,Enoyl-[acyl-carrier-protein] reductase [NADH],inhA,269,3767,Isoniazid,ungrouped,4,1,0,Exp,Exp,homo-4-mer,4tro,,1,ABCD,,,ZID,,,5289618,drug_target_alteration, -P9WGR1,Rv1484,Enoyl-[acyl-carrier-protein] reductase [NADH],inhA,269,2761171,Ethionamide,ungrouped,4,1,0,Exp,Exp,homo-4-mer,2ntj,,1,ABCD,,,P1H,,,49867455,drug_target_alteration, -P9WNL5,Rv3793,Probable arabinosyltransferase C,embC,1094,14052,Ethambutol,ungrouped,4,1,0,AF2,Trans,homo-2-mer,,,1,A,7bvf,95E,95E,,"P9WNL5, P9WNL7",,drug_target_alteration, -P9WH35,Rv3458c,30S ribosomal protein S4,rpsD,201,135398735,Rifampicin,rifamycin,1,1,1,Exp,,hetero-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-mer,5v93,,1,7,,,,,,,unclear, -P9WP83,Rv2983,Phosphoenolpyruvate guanylyltransferase,fbiD,214,6480466,Delamanid,ungrouped,1,1,0,Exp,,monomer,6bwg,,3,A,,,,,,,unclear, -O33194,Rv1692,D-glycerol 3-phosphate phosphatase,Rv1692,353,3000502,Capreomycin,ungrouped,0,1,0,Exp,,homo-2-mer,4i9g,,1,AB,,,,,,,unclear, -P9WGW9,Rv3919c,Ribosomal RNA small subunit methyltransferase G,rsmG,224,19649,Streptomycin,aminoglycoside,0,0,0,Exp,,monomer,7cfe,,1,A,,,,,,,abrogation_of_drug_target_methylation, -P95160,Rv1854c,Type II NADH:quinone oxidoreductase Ndh,ndh,463,3767,Isoniazid,ungrouped,4,1,0,AF2,,homo-2-mer,,,1,AB,,,,,,,overabundance_of_drug_target_substrate, -P95160,Rv1854c,Type II NADH:quinone oxidoreductase Ndh,ndh,463,2761171,Ethionamide,ungrouped,4,1,0,AF2,,homo-2-mer,,,1,AB,,,,,,,overabundance_of_drug_target_substrate, -P9WGZ1,Rv3457c,DNA-directed RNA polymerase subunit alpha,rpoA,347,135398735,Rifampicin,rifamycin,1,1,1,Exp,Exp,hetero-2-1-1-1-1-mer,5uhc,,1,AB,,,RFP,,"P9WGY9, P9WGY7, P9WGY5",,unclear, -P9WP81,Rv3261,Phosphoenolpyruvate transferase,fbiA,331,6480466,Delamanid,ungrouped,1,1,0,AF2,,monomer,,,1,A,,,,,,,unclear, -P9WNF9,Rv3854c,FAD-containing monooxygenase EthA,ethA,489,2761171,Ethionamide,ungrouped,4,1,0,AF2,Dock,monomer,,,1,A,,,UNL,,,,abrogated_prodrug_activation, -P9WMS9,Rv3789,Arabinogalactan biosynthesis recruiting protein Rv3789,Rv3789,121,14052,Ethambutol,ungrouped,4,0,0,AF2,,monomer,,,1,A,,,,,,,unclear, -P9WHG1,Rv3105c,Peptide chain release factor 2,prfB,371,37768,Amikacin,aminoglycoside,0,0,0,AF2,,monomer,,,1,A,,,,,,,unclear, -P9WHG1,Rv3105c,Peptide chain release factor 2,prfB,371,3000502,Capreomycin,ungrouped,0,0,0,AF2,,monomer,,,1,A,,,,,,,unclear, -P9WGZ9,Rv2752c,Ribonuclease J,rnj,558,135398735,Rifampicin,rifamycin,1,0,0,AF2,,homo-4-mer,,,1,ABCD,,,,,,,unclear, -P9WGZ9,Rv2752c,Ribonuclease J,rnj,558,3767,Isoniazid,ungrouped,4,0,0,AF2,,homo-4-mer,,,1,ABCD,,,,,,,unclear, -P9WP15,Rv3547,Deazaflavin-dependent nitroreductase,ddn,151,6480466,Delamanid,ungrouped,1,1,0,AF2,Dock,monomer,,,1,A,,,UNL,,,,abrogated_prodrug_activation, -P9WP77,Rv1173,FO synthase,fbiC,856,6480466,Delamanid,ungrouped,1,1,0,AF2,,monomer,,,1,A,,,,,,,abrogated_prodrug_activation, -P9WNL7,Rv3795,Probable arabinosyltransferase B,embB,1098,14052,Ethambutol,ungrouped,4,1,0,Exp,Exp,hetero-1-1-1-mer,7bvf,,1,A,,,95E,,"P9WNL5, P9WNL9",,drug_target_alteration, -P9WJM1,Rv1315,UDP-N-acetylglucosamine 1-carboxyvinyltransferase,murA,418,441401,Linezolid,ungrouped,4,0,0,AF2,,homo-4-mer,,,1,ABCD,,,,,,,unclear, -P9WJM1,Rv1315,UDP-N-acetylglucosamine 1-carboxyvinyltransferase,murA,418,3000502,Capreomycin,ungrouped,0,0,0,AF2,,homo-4-mer,,,1,ABCD,,,,,,,unclear, -P9WJM1,Rv1315,UDP-N-acetylglucosamine 1-carboxyvinyltransferase,murA,418,19649,Streptomycin,aminoglycoside,0,0,0,AF2,,homo-4-mer,,,1,ABCD,,,,,,,unclear, -P9WJM1,Rv1315,UDP-N-acetylglucosamine 1-carboxyvinyltransferase,murA,418,37768,Amikacin,aminoglycoside,0,0,0,AF2,,homo-4-mer,,,1,ABCD,,,,,,,unclear, -P9WJM1,Rv1315,UDP-N-acetylglucosamine 1-carboxyvinyltransferase,murA,418,6032,Kanamycin,aminoglycoside,1,0,0,AF2,,homo-4-mer,,,1,ABCD,,,,,,,unclear, -L7N665,Rv3236c,Probable conserved integral membrane transport protein,Rv3236c,385,1046,Pyrazinamide,ungrouped,4,0,0,AF2,,homo-2-mer,,,1,AB,,,,,,,drug_efflux, -Q6MX01,Rv3197A,Probable transcriptional regulator WhiB7,whiB7,92,37768,Amikacin,aminoglycoside,0,0,0,Exp,,hetero-2-1-1-1-1-1-1-1-mer,7kim,,1,K,,,,,,,unclear, -Q6MX01,Rv3197A,Probable transcriptional regulator WhiB7,whiB7,92,6032,Kanamycin,aminoglycoside,1,0,0,Exp,,hetero-2-1-1-1-1-1-1-1-mer,7kim,,1,K,,,,,,,gene_regulation, -Q6MX01,Rv3197A,Probable transcriptional regulator WhiB7,whiB7,92,19649,Streptomycin,aminoglycoside,0,0,0,Exp,,hetero-2-1-1-1-1-1-1-1-mer,7kim,,1,K,,,,,,,gene_regulation, -I6XHI4,Rv3546,Steroid 3-ketoacyl-CoA thiolase,fadA5,391,6480466,Delamanid,ungrouped,1,1,0,Exp,,homo-2-mer,4ubt,,1,AB,,,,,,,unclear, -O53582,Rv3805c,Terminal beta-(1->2)-arabinofuranosyltransferase,aftB,627,37768,Amikacin,aminoglycoside,0,0,0,AF2,,monomer,,,1,A,,,,,,,unclear, -O53582,Rv3805c,Terminal beta-(1->2)-arabinofuranosyltransferase,aftB,627,3000502,Capreomycin,ungrouped,0,0,0,AF2,,monomer,,,1,A,,,,,,,unclear, -O53487,Rv2044c,Uncharacterized protein,Rv2044c,105,1046,Pyrazinamide,ungrouped,4,0,0,AF2,,monomer,,,1,A,,,,,,,unclear, -O06393,Rv0529,Possible cytochrome C-type biogenesis protein CcsA,ccsA,324,37768,Amikacin,aminoglycoside,0,0,0,AF2,,monomer,,,1,A,,,,,,,unclear, -O06393,Rv0529,Possible cytochrome C-type biogenesis protein CcsA,ccsA,324,3000502,Capreomycin,ungrouped,0,0,0,AF2,,monomer,,,1,A,,,,,,,unclear, -P9WGY7,Rv0668,DNA-directed RNA polymerase subunit beta',rpoC,1316,135398735,Rifampicin,rifamycin,1,1,1,Exp,Exp,hetero-2-1-1-1-1-mer,5uhc,,1,D,,,RFP,,"P9WGZ1, P9WGZ1, P9WGY9, P9WGY5",,unclear, -P9WMY7,Rv0486,D-inositol 3-phosphate glycosyltransferase,mshA,480,3767,Isoniazid,ungrouped,4,1,0,AF2,,homo-2-mer,,,1,AB,,,,,,,abrogated_prodrug_activation, -P9WMY7,Rv0486,D-inositol 3-phosphate glycosyltransferase,mshA,480,2761171,Ethionamide,ungrouped,4,1,0,AF2,,homo-2-mer,,,1,AB,,,,,,,abrogated_prodrug_activation, -P9WJV1,Rv0676c,Siderophore exporter MmpL5,mmpL5,964,2794,Clofazimine,ungrouped,3,0,0,AF2,,monomer,,,1,A,,,,,,,drug_efflux, -P9WJV1,Rv0676c,Siderophore exporter MmpL5,mmpL5,964,5388906,Bedaquiline,ungrouped,2,0,0,AF2,,monomer,,,1,A,,,,,,,drug_efflux, -P9WJS7,Rv0677c,Siderophore export accessory protein MmpS5,mmpS5,142,2794,Clofazimine,ungrouped,3,0,0,AF2,,monomer,,,1,A,,,,,,,drug_efflux, -P9WJS7,Rv0677c,Siderophore export accessory protein MmpS5,mmpS5,142,5388906,Bedaquiline,ungrouped,2,0,0,AF2,,monomer,,,1,A,,,,,,,drug_efflux, -I6Y8F7,Rv0678,HTH-type transcriptional regulator MmpR5,mmpR5,165,2794,Clofazimine,ungrouped,3,0,0,Exp,,homo-4-mer,4nb5,,1,ABCD,,,,,,,gene_regulation, -I6Y8F7,Rv0678,HTH-type transcriptional regulator MmpR5,mmpR5,165,5388906,Bedaquiline,ungrouped,2,0,0,Exp,,homo-4-mer,4nb5,,1,ABCD,,,,,,,gene_regulation, -P9WJ63,Rv1694,16S/23S rRNA (cytidine-2'-O)-methyltransferase TlyA,tlyA,268,3000502,Capreomycin,ungrouped,0,0,0,AF2,,monomer,,,1,A,,,,,,,abrogation_of_drug_target_methylation, -O06394,Rv0528,Probable conserved transmembrane protein,Rv0528,529,37768,Amikacin,aminoglycoside,0,0,0,AF2,,monomer,,,1,A,,,,,,,unclear, -O06394,Rv0528,Probable conserved transmembrane protein,Rv0528,529,3000502,Capreomycin,ungrouped,0,0,0,AF2,,monomer,,,1,A,,,,,,,unclear, -P9WG47,Rv0006,DNA gyrase subunit A,gyrA,838,152946,Moxifloxacin,fluoroquinolone,4,1,1,AF2,Exp,hetero-2-2-mer,5bs8,,1,AC,5bs8,MFX,MFX,,P9WG45,,drug_target_alteration, -P9WG47,Rv0006,DNA gyrase subunit A,gyrA,838,149096,Levofloxacin,fluoroquinolone,4,1,1,AF2,Exp,hetero-2-2-mer,5btg,,1,AC,5btg,LFX,LFX,,P9WG45,,drug_target_alteration, -P9WMC1,Rv3855,HTH-type transcriptional regulator EthR,ethR,216,2761171,Ethionamide,ungrouped,4,0,0,Exp,,homo-2-mer,5mym,,1,AB,,,,,,,gene_regulation, -P9WPV7,Rv1304,ATP synthase subunit a,atpB,250,5388906,Bedaquiline,ungrouped,2,1,0,Hom,Trans,hetero-3-3-1-1-1-1-1-9-mer,,7jga,1,I,7jga,BQ1,BQ1,,"P9WPU7, P9WPU5, P9WPV3, P9WPV5, P9WPV1, P9WPU9, P9WPS1 ",,drug_target_alteration, -P9WPC9,Rv3596c,ATP-dependent Clp protease ATP-binding subunit ClpC1,clpC1,848,1046,Pyrazinamide,ungrouped,4,1,0,Hom,,homo-6-mer,,5og1.1,1,ABCDEF,,,,,,,unclear, -P9WKV1,Rv0485,Transcriptional regulator Rv0485,Rv0485,438,3767,Isoniazid,ungrouped,4,0,0,AF2,,homo-2-mer,,,1,AB,,,,,,,gene_regulation, -P9WKV1,Rv0485,Transcriptional regulator Rv0485,Rv0485,438,2761171,Ethionamide,ungrouped,4,0,0,AF2,,homo-2-mer,,,1,AB,,,,,,,gene_regulation, -P9WPS1,Rv1305,ATP synthase subunit c,atpE,81,5388906,Bedaquiline,ungrouped,2,1,0,Hom,Trans,hetero-3-3-1-1-1-1-1-9-mer,,7jga,1,LMNOPQRST,7jga,BQ1,BQ1,,"P9WPU7, P9WPU5, P9WPV3, P9WPV5, P9WPV1, P9WPU9, P9WPV7",,drug_target_alteration, -P9WH63,Rv0682,30S ribosomal protein S12,rpsL,124,19649,Streptomycin,aminoglycoside,0,1,1,Exp,,hetero-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-mer,5v93,,1,f,,,,,,,unclear, -I6YDN6,Rv2535c,Probable cytoplasmic peptidase PepQ,pepQ,372,2794,Clofazimine,ungrouped,3,0,0,AF2,,homo-2-mer,,,1,AB,,,,,,,unclear, https://doi.org/10.1128/AAC.00753-16 -I6YDN6,Rv2535c,Probable cytoplasmic peptidase PepQ,pepQ,372,5388906,Bedaquiline,ungrouped,2,0,0,AF2,,homo-2-mer,,,1,AB,,,,,,,unclear, https://doi.org/10.1128/AAC.00753-16 -O33195,Rv1693,Uncharacterized protein,Rv1693,58,3000502,Capreomycin,ungrouped,0,0,0,AF2,,monomer,,,1,A,,,,,,,unclear, \ No newline at end of file +prot_uniprotid,prot_myctu,prot_fullname,prot_genename,prot_length,drug_pubchemid,drug_name,drug_group,lipinski,needs_drug,complex_with_dna,method_structure,method_ligand,oligomeric_state,pdbid_exp,pdbid_hom,pdbid_biounit,pdbid_chain,pdbid_trans,pdbligandid_trans,pdbligandid,tanimoto,prot_uniprotid_heteromer,drug_pmid_activated-form,mechanism,Proof_ligand_binding +P9WIE5,Rv1908c,Catalase-peroxidase,katG,740,3767,Isoniazid,ungrouped,4,1,0,Exp,Trans,homo-2-mer,1sj2,,1,AB,6cdq,NIZ,NIZ,,,,abrogated_prodrug_activation, +P9WH87,Rv0701,50S ribosomal protein L3,rplC,217,441401,Linezolid,ungrouped,4,1,1,Exp,Sup,hetero-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-mer,5v7q,,1,J,5v7q,917,UNK,"0,6552901024",,,drug_target_alteration, +P9WH67,Rv0700,30S ribosomal protein S10,rpsJ,101,441401,Linezolid,ungrouped,4,1,1,Exp,,hetero-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-mer,5v93,,1,e,,,,,,,unclear, +P9WM53,Rv1259,Type-5 uracil-DNA glycosylase,udgB,268,3767,Isoniazid,ungrouped,4,0,0,AF2,,monomer,,,1,A,,,,,,,unclear,https://doi.org/10.1371/journal.ppat.1009452 +P9WM53,Rv1259,Type-5 uracil-DNA glycosylase,udgB,268,19649,Streptomycin,aminoglycoside,0,0,0,AF2,,monomer,,,1,A,,,,,,,unclear,https://doi.org/10.1371/journal.ppat.1009452 +P9WM53,Rv1259,Type-5 uracil-DNA glycosylase,udgB,268,1046,Pyrazinamide,ungrouped,4,0,0,AF2,,monomer,,,1,A,,,,,,,unclear,https://doi.org/10.1371/journal.ppat.1009452 +P9WN03,Rv3792,Galactan 5-O-arabinofuranosyltransferase,aftA,643,14052,Ethambutol,ungrouped,4,0,0,AF2,,monomer,,,1,A,,,,,,,unclear,https://doi.org/10.1042/BST0351325 +P9WP79,Rv3262,Bifunctional F420 biosynthesis protein FbiB,fbiB,448,6480466,Delamanid,ungrouped,1,1,0,Exp,,homo-2-mer,4xoq,,1,AB,,,,,,,abrogated_prodrug_activation,https://doi.org/10.1016/j.tube.2017.12.006 +P9WNL9,Rv3794,Probable arabinosyltransferase A,embA,1094,14052,Ethambutol,ungrouped,4,1,0,Exp,Exp,hetero-1-1-1-mer,7bvf,,1,B,,,95E,,"P9WNL5, P9WNL7",,drug_target_alteration, +P9WIQ1,Rv3809c,UDP-galactopyranose mutase,glf,399,14052,Ethambutol,ungrouped,4,1,0,Exp,,homo-2-mer,4rpj,,1,AB,,,,,,,unclear, +O05882,Rv3237c,Conserved protein,Rv3237c,160,1046,Pyrazinamide,ungrouped,4,1,0,AF2,,monomer,,,1,A,,,,,,,unclear, +P9WGJ9,Rv1267c,Transcriptional regulatory protein EmbR,embR,388,14052,Ethambutol,ungrouped,4,0,0,Exp,,monomer,2fez,,1,A,,,,,,,gene_regulation, +P9WFK7,Rv2416c,N-acetyltransferase Eis,eis,402,37768,Amikacin,aminoglycoside,0,0,0,Exp,,homo-6-mer,3uy5,,1,ABCDEF,,,,,,,abrogation_of_drug_inactivating_enzyme, +P9WFK7,Rv2416c,N-acetyltransferase Eis,eis,402,6032,Kanamycin,aminoglycoside,1,0,0,Exp,,homo-6-mer,3uy5,,1,ABCDEF,,,,,,,abrogation_of_drug_inactivating_enzyme, +P9WJX9,Rv1258c,Multidrug efflux pump Tap,tap,419,3767,Isoniazid,ungrouped,4,0,0,AF2,,monomer,,,1,A,,,,,,,drug_efflux, +P9WJX9,Rv1258c,Multidrug efflux pump Tap,tap,419,19649,Streptomycin,aminoglycoside,0,0,0,AF2,,monomer,,,1,A,,,,,,,drug_efflux, +P9WJX9,Rv1258c,Multidrug efflux pump Tap,tap,419,1046,Pyrazinamide,ungrouped,4,0,0,AF2,,monomer,,,1,A,,,,,,,drug_efflux, +P9WFR5,Rv3806c,Decaprenyl-phosphate phosphoribosyltransferase,Rv3806c,302,37768,Amikacin,aminoglycoside,0,0,0,AF2,,monomer,,,1,A,,,,,,,unclear,https://doi.org/10.1016/j.tube.2014.12.002 +P9WFR5,Rv3806c,Decaprenyl-phosphate phosphoribosyltransferase,Rv3806c,302,3000502,Capreomycin,ungrouped,0,0,0,AF2,,monomer,,,1,A,,,,,,,unclear,https://doi.org/10.1016/j.tube.2014.12.002 +P9WFR5,Rv3806c,Decaprenyl-phosphate phosphoribosyltransferase,Rv3806c,302,14052,Ethambutol,ungrouped,4,0,0,AF2,,monomer,,,1,A,,,,,,,unclear,https://doi.org/10.1016/j.tube.2014.12.002 +P9WKW7,Rv3788,Uncharacterized protein Rv3788,Rv3788,161,14052,Ethambutol,ungrouped,4,0,0,AF2,,monomer,,,1,A,,,,,,,unclear, +P9WQB7,Rv2428,Alkyl hydroperoxide reductase C,ahpC,195,3767,Isoniazid,ungrouped,4,0,0,Exp,,homo-12-mer,7bz6,,1,ABCDEFGHIJKL,,,,,,,unclear, +P9WGY9,Rv0667,DNA-directed RNA polymerase subunit beta,rpoB,1178,135398735,Rifampicin,rifamycin,1,1,1,Exp,Exp,hetero-2-1-1-1-1-mer,5uhc,,1,C,,,RFP,,"P9WGZ1, P9WGZ1, P9WGY7, P9WGY5",,drug_target_alteration, +P9WGT3,Rv1483,3-oxoacyl-[acyl-carrier-protein] reductase MabA,mabA,247,3767,Isoniazid,ungrouped,4,0,0,Exp,,homo-4-mer,1uzn,,1,ABCD,,,,,,,unclear, +P9WGT3,Rv1483,3-oxoacyl-[acyl-carrier-protein] reductase MabA,mabA,247,2761171,Ethionamide,ungrouped,4,0,0,Exp,,homo-4-mer,1uzn,,1,ABCD,,,,,,,unclear, +P9WG45,Rv0005,DNA gyrase subunit B,gyrB,675,152946,Moxifloxacin,fluoroquinolone,4,1,1,AF2,Trans,hetero-2-2-mer,5bs8,,1,BD,5bs8,MFX,MFX,,P9WG47,,drug_target_alteration, +P9WG45,Rv0005,DNA gyrase subunit B,gyrB,675,149096,Levofloxacin,fluoroquinolone,4,1,1,AF2,Trans,hetero-2-2-mer,5btg,,1,BD,5btg,LFX,LFX,,P9WG47,,drug_target_alteration, +P9WQM5,Rv1979c,Uncharacterized transporter,Rv1979c,481,2794,Clofazimine,ungrouped,3,0,0,AF2,,monomer,,,1,A,,,,,,,drug_efflux, +P9WQM5,Rv1979c,Uncharacterized transporter,Rv1979c,481,5388906,Bedaquiline,ungrouped,2,0,0,AF2,,monomer,,,1,A,,,,,,,drug_efflux, +P9WF37,Rv3862c,Probable transcriptional regulator WhiB6,whiB6,116,37768,Amikacin,aminoglycoside,0,0,0,AF2,,monomer,,,1,A,,,,,,,gene_regulation, +P9WF37,Rv3862c,Probable transcriptional regulator WhiB6,whiB6,116,3000502,Capreomycin,ungrouped,0,0,0,AF2,,monomer,,,1,A,,,,,,,gene_regulation, +P9WF37,Rv3862c,Probable transcriptional regulator WhiB6,whiB6,116,19649,Streptomycin,aminoglycoside,0,0,0,AF2,,monomer,,,1,A,,,,,,,gene_regulation, +O53789,Rv0681,Uncharacterized HTH-type transcriptional regulator Rv0681,Rv0681,196,19649,Streptomycin,aminoglycoside,0,0,0,AF2,,homo-2-mer,,,1,AB,,,,,,,gene_regulation, +I6XD65,Rv2043c,Nicotinamidase/pyrazinamidase,pncA,186,1046,Pyrazinamide,ungrouped,4,1,0,Exp,Dock,monomer,3pl1,,1,A,,,PZA,,,,abrogated_prodrug_activation, +P9WNE1,Rv0407,F420-dependent glucose-6-phosphate dehydrogenase,fgd1,336,6480466,Delamanid,ungrouped,1,1,0,Exp,,homo-2-mer,3c8n,,1,AB,,,,,,,abrogated_prodrug_activation, +P9WN87,Rv1909c,Transcriptional regulator FurA,furA,147,3767,Isoniazid,ungrouped,4,0,0,AF2,,homo-2-mer,,,1,AB,,,,,,,gene_regulation, +P9WIN9,Rv1980c,Immunogenic protein MPT64,mpt64,228,2794,Clofazimine,ungrouped,3,0,0,Exp,,monomer,2hhi,,1,A,,,,,,,unclear, +P9WIN9,Rv1980c,Immunogenic protein MPT64,mpt64,228,5388906,Bedaquiline,ungrouped,2,0,0,Exp,,monomer,2hhi,,1,A,,,,,,,unclear, +P9WIQ3,Rv3106,NADPH-ferredoxin reductase FprA,fprA,456,37768,Amikacin,aminoglycoside,0,1,0,Exp,,homo-2-mer,2c7g,,1,AB,,,,,,,unclear, +P9WIQ3,Rv3106,NADPH-ferredoxin reductase FprA,fprA,456,3000502,Capreomycin,ungrouped,0,1,0,Exp,,homo-2-mer,2c7g,,1,AB,,,,,,,unclear, +P9WNF7,Rv3083,Putative FAD-containing monooxygenase MymA,mymA,495,2761171,Ethionamide,ungrouped,4,0,0,AF2,,monomer,,,1,A,,,,,,,unclear, +P9WIL3,Rv3601c,Aspartate 1-decarboxylase,panD,139,1046,Pyrazinamide,ungrouped,4,1,0,Exp,Exp,hetero-4-4-mer,6oyy,,1,ABCDEFGH,,,VGL,,,1047,drug_target_alteration, +Q79FI8,Rv1918c,PPE family protein PPE35,PPE35,987,1046,Pyrazinamide,ungrouped,4,1,0,AF2,,monomer,,,1,A,,,,,,,unclear, +P9WGR1,Rv1484,Enoyl-[acyl-carrier-protein] reductase [NADH],inhA,269,3767,Isoniazid,ungrouped,4,1,0,Exp,Exp,homo-4-mer,4tro,,1,ABCD,,,ZID,,,5289618,drug_target_alteration, +P9WGR1,Rv1484,Enoyl-[acyl-carrier-protein] reductase [NADH],inhA,269,2761171,Ethionamide,ungrouped,4,1,0,Exp,Exp,homo-4-mer,2ntj,,1,ABCD,,,P1H,,,49867455,drug_target_alteration, +P9WNL5,Rv3793,Probable arabinosyltransferase C,embC,1094,14052,Ethambutol,ungrouped,4,1,0,AF2,Trans,homo-2-mer,,,1,AB,7bvf,95E,95E,,"P9WNL5, P9WNL7",,drug_target_alteration, +P9WH35,Rv3458c,30S ribosomal protein S4,rpsD,201,135398735,Rifampicin,rifamycin,1,1,1,Exp,,hetero-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-mer,5v93,,1,7,,,,,,,unclear, +P9WP83,Rv2983,Phosphoenolpyruvate guanylyltransferase,fbiD,214,6480466,Delamanid,ungrouped,1,1,0,Exp,,monomer,6bwg,,3,A,,,,,,,unclear, +O33194,Rv1692,D-glycerol 3-phosphate phosphatase,Rv1692,353,3000502,Capreomycin,ungrouped,0,1,0,Exp,,homo-2-mer,4i9g,,1,AB,,,,,,,unclear, +P9WGW9,Rv3919c,Ribosomal RNA small subunit methyltransferase G,rsmG,224,19649,Streptomycin,aminoglycoside,0,0,0,Exp,,monomer,7cfe,,1,A,,,,,,,abrogation_of_drug_target_methylation, +P95160,Rv1854c,Type II NADH:quinone oxidoreductase Ndh,ndh,463,3767,Isoniazid,ungrouped,4,1,0,AF2,,homo-2-mer,,,1,AB,,,,,,,overabundance_of_drug_target_substrate, +P95160,Rv1854c,Type II NADH:quinone oxidoreductase Ndh,ndh,463,2761171,Ethionamide,ungrouped,4,1,0,AF2,,homo-2-mer,,,1,AB,,,,,,,overabundance_of_drug_target_substrate, +P9WGZ1,Rv3457c,DNA-directed RNA polymerase subunit alpha,rpoA,347,135398735,Rifampicin,rifamycin,1,1,1,Exp,Exp,hetero-2-1-1-1-1-mer,5uhc,,1,AB,,,RFP,,"P9WGY9, P9WGY7, P9WGY5",,unclear, +P9WP81,Rv3261,Phosphoenolpyruvate transferase,fbiA,331,6480466,Delamanid,ungrouped,1,1,0,AF2,,monomer,,,1,A,,,,,,,unclear, +P9WNF9,Rv3854c,FAD-containing monooxygenase EthA,ethA,489,2761171,Ethionamide,ungrouped,4,1,0,AF2,Dock,monomer,,,1,A,,,UNL,,,,abrogated_prodrug_activation, +P9WMS9,Rv3789,Arabinogalactan biosynthesis recruiting protein Rv3789,Rv3789,121,14052,Ethambutol,ungrouped,4,0,0,AF2,,monomer,,,1,A,,,,,,,unclear, +P9WHG1,Rv3105c,Peptide chain release factor 2,prfB,371,37768,Amikacin,aminoglycoside,0,0,0,AF2,,monomer,,,1,A,,,,,,,unclear, +P9WHG1,Rv3105c,Peptide chain release factor 2,prfB,371,3000502,Capreomycin,ungrouped,0,0,0,AF2,,monomer,,,1,A,,,,,,,unclear, +P9WGZ9,Rv2752c,Ribonuclease J,rnj,558,135398735,Rifampicin,rifamycin,1,0,0,AF2,,homo-4-mer,,,1,ABCD,,,,,,,unclear, +P9WGZ9,Rv2752c,Ribonuclease J,rnj,558,3767,Isoniazid,ungrouped,4,0,0,AF2,,homo-4-mer,,,1,ABCD,,,,,,,unclear, +P9WP15,Rv3547,Deazaflavin-dependent nitroreductase,ddn,151,6480466,Delamanid,ungrouped,1,1,0,AF2,Dock,monomer,,,1,A,,,UNL,,,,abrogated_prodrug_activation, +P9WP77,Rv1173,FO synthase,fbiC,856,6480466,Delamanid,ungrouped,1,1,0,AF2,,monomer,,,1,A,,,,,,,abrogated_prodrug_activation, +P9WNL7,Rv3795,Probable arabinosyltransferase B,embB,1098,14052,Ethambutol,ungrouped,4,1,0,Exp,Exp,hetero-1-1-1-mer,7bvf,,1,A,,,95E,,"P9WNL5, P9WNL9",,drug_target_alteration, +P9WJM1,Rv1315,UDP-N-acetylglucosamine 1-carboxyvinyltransferase,murA,418,441401,Linezolid,ungrouped,4,0,0,AF2,,homo-4-mer,,,1,ABCD,,,,,,,unclear, +P9WJM1,Rv1315,UDP-N-acetylglucosamine 1-carboxyvinyltransferase,murA,418,3000502,Capreomycin,ungrouped,0,0,0,AF2,,homo-4-mer,,,1,ABCD,,,,,,,unclear, +P9WJM1,Rv1315,UDP-N-acetylglucosamine 1-carboxyvinyltransferase,murA,418,19649,Streptomycin,aminoglycoside,0,0,0,AF2,,homo-4-mer,,,1,ABCD,,,,,,,unclear, +P9WJM1,Rv1315,UDP-N-acetylglucosamine 1-carboxyvinyltransferase,murA,418,37768,Amikacin,aminoglycoside,0,0,0,AF2,,homo-4-mer,,,1,ABCD,,,,,,,unclear, +P9WJM1,Rv1315,UDP-N-acetylglucosamine 1-carboxyvinyltransferase,murA,418,6032,Kanamycin,aminoglycoside,1,0,0,AF2,,homo-4-mer,,,1,ABCD,,,,,,,unclear, +L7N665,Rv3236c,Probable conserved integral membrane transport protein,Rv3236c,385,1046,Pyrazinamide,ungrouped,4,0,0,AF2,,homo-2-mer,,,1,AB,,,,,,,drug_efflux, +Q6MX01,Rv3197A,Probable transcriptional regulator WhiB7,whiB7,92,37768,Amikacin,aminoglycoside,0,0,0,Exp,,hetero-2-1-1-1-1-1-1-1-mer,7kim,,1,K,,,,,,,unclear, +Q6MX01,Rv3197A,Probable transcriptional regulator WhiB7,whiB7,92,6032,Kanamycin,aminoglycoside,1,0,0,Exp,,hetero-2-1-1-1-1-1-1-1-mer,7kim,,1,K,,,,,,,gene_regulation, +Q6MX01,Rv3197A,Probable transcriptional regulator WhiB7,whiB7,92,19649,Streptomycin,aminoglycoside,0,0,0,Exp,,hetero-2-1-1-1-1-1-1-1-mer,7kim,,1,K,,,,,,,gene_regulation, +I6XHI4,Rv3546,Steroid 3-ketoacyl-CoA thiolase,fadA5,391,6480466,Delamanid,ungrouped,1,1,0,Exp,,homo-2-mer,4ubt,,1,AB,,,,,,,unclear, +O53582,Rv3805c,Terminal beta-(1->2)-arabinofuranosyltransferase,aftB,627,37768,Amikacin,aminoglycoside,0,0,0,AF2,,monomer,,,1,A,,,,,,,unclear, +O53582,Rv3805c,Terminal beta-(1->2)-arabinofuranosyltransferase,aftB,627,3000502,Capreomycin,ungrouped,0,0,0,AF2,,monomer,,,1,A,,,,,,,unclear, +O53487,Rv2044c,Uncharacterized protein,Rv2044c,105,1046,Pyrazinamide,ungrouped,4,0,0,AF2,,monomer,,,1,A,,,,,,,unclear, +O06393,Rv0529,Possible cytochrome C-type biogenesis protein CcsA,ccsA,324,37768,Amikacin,aminoglycoside,0,0,0,AF2,,monomer,,,1,A,,,,,,,unclear, +O06393,Rv0529,Possible cytochrome C-type biogenesis protein CcsA,ccsA,324,3000502,Capreomycin,ungrouped,0,0,0,AF2,,monomer,,,1,A,,,,,,,unclear, +P9WGY7,Rv0668,DNA-directed RNA polymerase subunit beta',rpoC,1316,135398735,Rifampicin,rifamycin,1,1,1,Exp,Exp,hetero-2-1-1-1-1-mer,5uhc,,1,D,,,RFP,,"P9WGZ1, P9WGZ1, P9WGY9, P9WGY5",,unclear, +P9WMY7,Rv0486,D-inositol 3-phosphate glycosyltransferase,mshA,480,3767,Isoniazid,ungrouped,4,1,0,AF2,,homo-2-mer,,,1,AB,,,,,,,abrogated_prodrug_activation, +P9WMY7,Rv0486,D-inositol 3-phosphate glycosyltransferase,mshA,480,2761171,Ethionamide,ungrouped,4,1,0,AF2,,homo-2-mer,,,1,AB,,,,,,,abrogated_prodrug_activation, +P9WJV1,Rv0676c,Siderophore exporter MmpL5,mmpL5,964,2794,Clofazimine,ungrouped,3,0,0,AF2,,monomer,,,1,A,,,,,,,drug_efflux, +P9WJV1,Rv0676c,Siderophore exporter MmpL5,mmpL5,964,5388906,Bedaquiline,ungrouped,2,0,0,AF2,,monomer,,,1,A,,,,,,,drug_efflux, +P9WJS7,Rv0677c,Siderophore export accessory protein MmpS5,mmpS5,142,2794,Clofazimine,ungrouped,3,0,0,AF2,,monomer,,,1,A,,,,,,,drug_efflux, +P9WJS7,Rv0677c,Siderophore export accessory protein MmpS5,mmpS5,142,5388906,Bedaquiline,ungrouped,2,0,0,AF2,,monomer,,,1,A,,,,,,,drug_efflux, +I6Y8F7,Rv0678,HTH-type transcriptional regulator MmpR5,mmpR5,165,2794,Clofazimine,ungrouped,3,0,0,Exp,,homo-4-mer,4nb5,,1,ABCD,,,,,,,gene_regulation, +I6Y8F7,Rv0678,HTH-type transcriptional regulator MmpR5,mmpR5,165,5388906,Bedaquiline,ungrouped,2,0,0,Exp,,homo-4-mer,4nb5,,1,ABCD,,,,,,,gene_regulation, +P9WJ63,Rv1694,16S/23S rRNA (cytidine-2'-O)-methyltransferase TlyA,tlyA,268,3000502,Capreomycin,ungrouped,0,0,0,AF2,,monomer,,,1,A,,,,,,,abrogation_of_drug_target_methylation, +O06394,Rv0528,Probable conserved transmembrane protein,Rv0528,529,37768,Amikacin,aminoglycoside,0,0,0,AF2,,monomer,,,1,A,,,,,,,unclear, +O06394,Rv0528,Probable conserved transmembrane protein,Rv0528,529,3000502,Capreomycin,ungrouped,0,0,0,AF2,,monomer,,,1,A,,,,,,,unclear, +P9WG47,Rv0006,DNA gyrase subunit A,gyrA,838,152946,Moxifloxacin,fluoroquinolone,4,1,1,AF2,Exp,hetero-2-2-mer,5bs8,,1,AC,5bs8,MFX,MFX,,P9WG45,,drug_target_alteration, +P9WG47,Rv0006,DNA gyrase subunit A,gyrA,838,149096,Levofloxacin,fluoroquinolone,4,1,1,AF2,Exp,hetero-2-2-mer,5btg,,1,AC,5btg,LFX,LFX,,P9WG45,,drug_target_alteration, +P9WMC1,Rv3855,HTH-type transcriptional regulator EthR,ethR,216,2761171,Ethionamide,ungrouped,4,0,0,Exp,,homo-2-mer,5mym,,1,AB,,,,,,,gene_regulation, +P9WPV7,Rv1304,ATP synthase subunit a,atpB,250,5388906,Bedaquiline,ungrouped,2,1,0,Hom,Trans,hetero-3-3-1-1-1-1-1-9-mer,,7jga,1,I,7jga,BQ1,BQ1,,"P9WPU7, P9WPU5, P9WPV3, P9WPV5, P9WPV1, P9WPU9, P9WPS1 ",,drug_target_alteration, +P9WPC9,Rv3596c,ATP-dependent Clp protease ATP-binding subunit ClpC1,clpC1,848,1046,Pyrazinamide,ungrouped,4,1,0,Hom,,homo-6-mer,,5og1.1,1,ABCDEF,,,,,,,unclear, +P9WKV1,Rv0485,Transcriptional regulator Rv0485,Rv0485,438,3767,Isoniazid,ungrouped,4,0,0,AF2,,homo-2-mer,,,1,AB,,,,,,,gene_regulation, +P9WKV1,Rv0485,Transcriptional regulator Rv0485,Rv0485,438,2761171,Ethionamide,ungrouped,4,0,0,AF2,,homo-2-mer,,,1,AB,,,,,,,gene_regulation, +P9WPS1,Rv1305,ATP synthase subunit c,atpE,81,5388906,Bedaquiline,ungrouped,2,1,0,Hom,Trans,hetero-3-3-1-1-1-1-1-9-mer,,7jga,1,LMNOPQRST,7jga,BQ1,BQ1,,"P9WPU7, P9WPU5, P9WPV3, P9WPV5, P9WPV1, P9WPU9, P9WPV7",,drug_target_alteration, +P9WH63,Rv0682,30S ribosomal protein S12,rpsL,124,19649,Streptomycin,aminoglycoside,0,1,1,Exp,,hetero-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-mer,5v93,,1,f,,,,,,,unclear, +I6YDN6,Rv2535c,Probable cytoplasmic peptidase PepQ,pepQ,372,2794,Clofazimine,ungrouped,3,0,0,AF2,,homo-2-mer,,,1,AB,,,,,,,unclear, https://doi.org/10.1128/AAC.00753-16 +I6YDN6,Rv2535c,Probable cytoplasmic peptidase PepQ,pepQ,372,5388906,Bedaquiline,ungrouped,2,0,0,AF2,,homo-2-mer,,,1,AB,,,,,,,unclear, https://doi.org/10.1128/AAC.00753-16 +O33195,Rv1693,Uncharacterized protein,Rv1693,58,3000502,Capreomycin,ungrouped,0,0,0,AF2,,monomer,,,1,A,,,,,,,unclear, diff --git a/pipelines/tbvar3d/tbvar3d_targets_desc.csv b/pipelines/tbvar3d/tbvar3d_targets_desc.csv index c66d56a82b37bb88d073ac746cb64c3648a36b12..657ca7ceb6c96452f10c4bd5e7a31e7555c47780 100644 --- a/pipelines/tbvar3d/tbvar3d_targets_desc.csv +++ b/pipelines/tbvar3d/tbvar3d_targets_desc.csv @@ -44,7 +44,7 @@ https://doi.org/10.1016/j.tube.2014.12.002,,0.0,ungrouped,Ethambutol,,14052.0,,4 ,,0.0,ungrouped,Pyrazinamide,,1046.0,,4.0,unclear,,AF2,1.0,monomer,1.0,A,,,,,,PPE family protein PPE35,PPE35,987.0,Rv1918c,Q79FI8,,"AF2 model, AlphaFold Protein Structure Database", ,"Ligand present in structure is the activated form of antibiotic: PubChemID 5289618 , PDB Ligand ID ZID",0.0,ungrouped,Isoniazid,5289618.0,3767.0,Ligand present in structure (PDB Ligand ID ZID).,4.0,drug_target_alteration,Exp,Exp,1.0,homo-4-mer,1.0,ABCD,4tro,,,ZID,,Enoyl-[acyl-carrier-protein] reductase [NADH],inhA,269.0,Rv1484,P9WGR1,,"Experimental Structure, PDB ID 4tro", ,"Ligand present in structure is the activated form of antibiotic: PubChemID 49867455 , PDB Ligand ID P1H",0.0,ungrouped,Ethionamide,49867455.0,2761171.0,Ligand present in structure (PDB Ligand ID P1H).,4.0,drug_target_alteration,Exp,Exp,1.0,homo-4-mer,1.0,ABCD,2ntj,,,P1H,,Enoyl-[acyl-carrier-protein] reductase [NADH],inhA,269.0,Rv1484,P9WGR1,,"Experimental Structure, PDB ID 2ntj", -,,0.0,ungrouped,Ethambutol,,14052.0,"Ligand transferred from other structure (PDB ID 7bvf, PDB Ligand ID 95E).",4.0,drug_target_alteration,Trans,AF2,1.0,homo-2-mer,1.0,A,,,7bvf,95E,95E,Probable arabinosyltransferase C,embC,1094.0,Rv3793,P9WNL5,"P9WNL5, P9WNL7","AF2 model, internal AF2 modelling pipeline", +,,0.0,ungrouped,Ethambutol,,14052.0,"Ligand transferred from other structure (PDB ID 7bvf, PDB Ligand ID 95E).",4.0,drug_target_alteration,Trans,AF2,1.0,homo-2-mer,1.0,AB,,,7bvf,95E,95E,Probable arabinosyltransferase C,embC,1094.0,Rv3793,P9WNL5,"P9WNL5, P9WNL7","AF2 model, internal AF2 modelling pipeline", ,,1.0,rifamycin,Rifampicin,,135398735.0,,1.0,unclear,,Exp,1.0,hetero-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-mer,1.0,7,5v93,,,,,30S ribosomal protein S4,rpsD,201.0,Rv3458c,P9WH35,,"Experimental Structure, PDB ID 5v93", ,,0.0,ungrouped,Delamanid,,6480466.0,,1.0,unclear,,Exp,1.0,monomer,3.0,A,6bwg,,,,,Phosphoenolpyruvate guanylyltransferase,fbiD,214.0,Rv2983,P9WP83,,"Experimental Structure, PDB ID 6bwg", ,,0.0,ungrouped,Capreomycin,,3000502.0,,0.0,unclear,,Exp,1.0,homo-2-mer,1.0,AB,4i9g,,,,,D-glycerol 3-phosphate phosphatase,Rv1692,353.0,Rv1692,O33194,,"Experimental Structure, PDB ID 4i9g",