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. 2014 Sep 15;4:6356. doi: 10.1038/srep06356

Table 1. Binding Site Sets: A list of the proteins in the 29 binding sites sets, along with ontological terms associated with them. For each set, high scoring Drugbank hits are also listed. The proteins recognized as targets from targetTB study are highlighted in blue.

Binding Site Set Accession Numbers Ontology Terms DrugBank Hit
Set 1 Rv0015c;Rv0480cRv0973c;Rv0980cRv1004c;Rv1158cRv1230c;Rv1747Rv2407;Rv2589Rv2908c;Rv3629c negative regulation of lipid biosynthetic process;protein phosphorylation;arylsulfatase activity;positive regulation of DNA binding;regulation of cell shape;plasma membrane;methylcrotonoyl-CoA carboxylase activity;negative regulation of catalytic activity;positive regulation of catalytic activity;protein serine/threonine kinase activity;protein kinase activity;protein autophosphorylation;protein binding;growth;cytosol;cell wall;extracellular region; Indolacetamide derivative (IOK); CO-5-Methoxybenzimidazolylcobamide (B1M);
Set 2 Rv0620;Rv1276cRv1317c;Rv2524c galactokinase activity;cell wall;cytosol;plasma membrane;growth; Progesterone (1CA);Benzenoid derivative (FHM);Colchicine (LOC);Quinolinone derivate (LGD);Benzonitrile (LGB);
Set 3 Rv1272c;Rv2192cRv2276;Rv2690c anthranilate phosphoribosyltransferase activity;tryptophan biosynthetic process;carbon monoxide binding;heme binding;oxidoreductase activity;oxidation-reduction process;plasma membrane;growth;extracellular region; Bisadenosine-pentaphosphate (AP5);Biliverdine (BLA);Molybdenum (PCD);Pterine cytosine nucleotide (MCN);Succinyl coA (SCA);
Set 4 Rv0089;Rv0761cRv0849;Rv1761cRv1863c;Rv2194Rv2679;Rv2728c heme binding;electron carrier activity;enoyl-CoA hydratase activity;electron transport;iron ion binding;plasma membrane;integral to plasma membrane;growth;cell wall; Cyanocobalamin (CNC);FAD-isobutylketone (FAB);Pyrimidine ethanone adduct (TDT);HydroxyFAD (6FA);
Set 5 Rv0527;Rv3319Rv3541c cytochrome complex assembly;succinate dehydrogenase activity;membrane;plasma membrane;growth; Phosphatidylethanolamine (PEE);Progesterone (1CA); Stearic acid (OLA);Colchicinoid derivative (CN2);Hexadecanal (PLM);
Set 6 Rv2897c;Rv3521Rv3825c;Rv3871 fatty acid biosynthetic process;cellular response to iron ion starvation;response to host immune response;plasma membrane;cell wall;cytosol; FAD-isobutylketone (FAB);Adenosine-pentaphosphate (UP5);Uridine-diPO4-acetylgulcosamine(UD1);Demethyl-dimethylamino FAD(RFL);4-oxo NAD-phosphate(ODP);
Set 7 Rv0435c;Rv0941cRv1601;Rv3206cRv3791 cysteine biosynthetic process;sulfotransferase activity;catalytic activity;active evasion of host immune response;plasma membrane;growth; Cyclohexyl-beta-d-maltoside (MA4);Metylisoxazole (W35);Stearic acid (OLA); myristic acid (MYR); Phosphatidyl ethalnolamine (EPH);
Set 8 Rv0538;Rv2393Rv2813;Rv3242cRv3923c ribonuclease P activity;sirohydrochlorin ferrochelatase activity;growth; 3-Acetylpyridine adenine dinucleotide (A3D);3-fluoro-5-morpholin-4-yl-N-benzamide (WBT);Nicotinamide Adenine Dinucleotide cyclohexanone (NDC);Lapatinib (FMM);Eicosapentanoic acid (EPA);
Set 9 Rv0166;Rv0732Rv0978c;Rv1457cRv1795;Rv1941Rv2209 NA 3-Acetylpyridine adenine dinucleotide (A3D);Spironolactone (SNL);Aleglitazar (RO7); Nicotinamide Dinucleotide cyclohexanone (NDC);Quinolinone derivative (LGD);
Set 10 Rv0274;Rv1141cRv2842c;Rv3011c enoyl-CoA hydratase activity;plasma membrane; 3-Acetylpridine adenine dinculeotide (A3D);Analogue of Indinavir (XN2);Pyrimidine ethanone adduct (TDT);Demethyl-dimethylamino FAD (RFL);5,6-dihydroxy-NADP (NZQ);
Set 11 Rv0194;Rv0343Rv1675c;Rv1838c efflux transmembrane transporter activity;regulation of transcriptionDNA-dependent;regulation of growth;DNA binding;plasma membrane;cell wall;cytosol; Cyclohexyl-beta-d-maltoside (MA4);Oleic acid (OLA);Isoquinolinone derivative (IZA);Isoindoloindolone derivative (CZA); Ethoxypyridine acetamide derivative (877);
Set 12 Rv0687;Rv2158cRv2629;Rv3072c response to hypoxia;cytosol;plasma membrane; FAD-isobutylketone (FAB); Analogue of Indinavir (XN2);Tipranavir (TPV);Pyrimidine ethanone adduct (TDT); Carmbamic acid tert-butyl ester (Q50);
Set 13 Rv0904c;Rv1358Rv2988c;Rv3700c mycolic acid biosynthetic process;protein binding;plasma membrane; Retronavir (RIT);Lopinavir (AB1); Analogue of Indinavir (XN2);3-fluoro-5-morpholin-4-yl-N-benzamide (WBT); Benzamide derivative (P40);
Set 14 Rv0148;Rv0291Rv0557;Rv1863cRv1918c;Rv3910 integral to plasma membrane;growth;plasma membrane;extracellular region; Oleic acid (OLA); Adenosine-5-Diphosphoribose (APR); Colchicinoid derivative (CN2);Dimethyl phenyln propanamide derivative (G1L); Pyridine acetamide derivative (877);
Set 15 Rv1086;Rv2383cRv2982c Z-farnesyl diphosphate synthase activity;di-transpoly-cis-decaprenylcistransferase activity;glycerol-3-phosphate dehydrogenase [NAD(P)+] activity;phosphopantetheine binding;polyprenol biosynthetic process;acyl carrier activity;siderophore biosynthetic process;cellular response to iron ion starvation;manganese ion binding;plasma membrane;magnesium ion binding;response to host immune response;pathogenesis;cytosol; Phosphatidyl ethanolamine (PEE); Colchicinoid derivative (CN2);Oleic acid (OLA); Progesterone (1CA); Propanamide derivative (FHM);
Set 16 Rv1125;Rv1248cRv3729 2-oxoglutarate decarboxylase activity;oxoglutarate dehydrogenase (succinyl-transferring) activity;pyruvate dehydrogenase complex;tricarboxylic acid cycle;electron carrier activity;oxidation-reduction process;plasma membrane;magnesium ion binding;protein binding;growth; Petrin cytosine dinucleotide (MCN);Molybdenum cofactor (PCD); FAD-isobutylketone (FAB); Co-cyanocobalamin (CNC); Bis-adenosine 5-pentaphosphate (AP5);
Set 17 Rv0070c;Rv2381cRv3029c glycine hydroxymethyltransferase activity;electron carrier activity;electron transport;plasma membrane;cytosol;growth; Cyclohexyl-beta-d-maltoside (MA4); Isoindoloindolone derivative (CZA); Isoquinolinone derivative (IZA); Carbothiomide derivative (DKI); Pyridine acetamide derivative (877);
Set 18 Rv1400c;Rv1683Rv2029c poly-hydroxybutyrate biosynthetic process;acyltransferase activity;growth;plasma membrane; Cyclohexyl-beta-d-maltoside (MA4); Pyridine carboxamide derivative (ZZY); Thiazolone derivative (ZMG); Purinamine derivative (ZIP); Stearic acid (STE);
Set 19 Rv0125;Rv0304cRv2683 extracellular region; Cyclohexyl-beta-d-maltoside (MA4); Isoindoloindolone derivative (CZA); Hydroxy ocatadeca-didenoic acid (243); Dihydropyrimidine amine derivative (YF4); Hydroxy-3-methoxybenzoate (VNL);
Set 20 Rv0651;Rv3448Rv3573c ribosome biogenesis;intracellular;plasma membrane;growth; Oleci acid (OLA); Ethylpyrimidine diamine derivative (N22); Cyclohexyl-beta-d-maltoside (MA4); Methylpyridazine piperidine propyloxyphenylacetate (J78); Phosphotidyl ethanolamine derivative (EPH);
Set 21 Rv0512;Rv1066Rv2075c NA Imatinib (STI); Lopinavir (AB1); Tipranavir (TPV); Ritonavir (RIT); Raloxifine (RAL);
Set 22 Rv1666c;Rv2383cRv3087 phosphopantetheine binding;acyl carrier activity;siderophore biosynthetic process;cellular response to iron ion starvation;response to host immune response;pathogenesis;plasma membrane; Co-cyanocobalamin (CNC); Pyrimidine ethanone adduct (TDT); Phosphatidylethanolamine (PEE); PentadecylcoA (NHM); TetradecanoylcoA (MYA);
Set 23 Rv0702;Rv3224Rv3702c response to iron ion;cytosol;plasma membrane; Biliveridine (BLA); Phenyl acetic acid derivative (965); FAD-isobutylketone (FAB); Analogue of Indinavir (XN2);3-fluoro-5-morpholin-4-yl-N-benzamide (WBT);
Set 24 Rv0767c;Rv1181Rv3158 NADH dehydrogenase (ubiquinone) activity;integral to plasma membrane;extracellular region;cell wall;plasma membrane; Biliverdine (BLA); Succinyl CoA (SCA); 3-Acetylpyridine adenine dinucleotide (A3D);4-oxo NADP (ODP); 5,6-dihydroxy NADP (NZQ);
Set 25 Rv0843;Rv1877Rv3757c binding;glycine betaine transport;response to host;transporter activity;transport;membrane;extracellular region; Cyclohexyl-beta-d-maltoside (MA4); CZA (Isoindoloindolone derivative); Isoindoloindolone derivative (IZA); Ethoxypyridine acetamide derivative (877); Crizotinib (VGH);
Set 26 Rv1181;Rv1979cRv3825c fatty acid biosynthetic process;cellular response to iron ion starvation;cell wall;response to host immune response;plasma membrane;cytosol; Molybdenum (PCD); Bilivridine (BLA); Pterin cytosine dinucleotide (MCN); Co-cyanocobalamin (CNC); FAD-isobutylketone (FAB);
Set 27 Rv1361c;Rv1800Rv3144c response to host immune response; Imatinib (STI); Biliverdine (BLA); Digalactosyl diacy glycerol (DGD); Eicosapentaenoic acid (EPA); Arachidonic acid (ACD);
Set 28 Rv1438;Rv3021cRv3585 DNA helicase activity;DNA replication;triose-phosphate isomerase activity;plasma membrane;ATP binding;protein homodimerization activity;cytosol;growth;extracellular region; Cyclohexyl-beta-d-maltoside (MA4);Crizotinib (VGH); Pyrazoloquinolinone (73Q); Pyridine carboxamide derivative (ZZY); Diphenyl indole carboxylic acid (VX3);
Set 29 Rv1832;Rv2677cRv3578 glycine dehydrogenase (decarboxylating) activity;oxygen-dependent protoporphyrinogen oxidase activity;cell wall;plasma membrane;growth; Biliverdine (BLA); Molybdenum (PCD); Pterine cytosine nucleotide (MCN); Succinyl CoA (SCA); Phosphatidylethanolamine (PEE);