SInCRe - Rv2158c

Tuberculist information

Gene name	murE
Protein function	Probable UDP-N-acetylmuramoylalanyl-D-glutamate-2,6-diaminopimelate ligase MurE
Functional category(tuberculist)	cell wall and cell processes
Gene location(kb)	2419
Molecular mass(da)	55308.7
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 535

	  		  	1    VSSLARGISRRRTEVATQVEAAPTGLRPNAVVGVRLAALADQVGAALAEGPAQRAVTEDR   60
			  	61   TVTGVTLRAQDVSPGDLFAALTGSTTHGARHVGDAIARGAVAVLTDPAGVAEIAGRAAVP  120
			  	121  VLVHPAPRGVLGGLAATVYGHPSERLTVIGITGTSGKTTTTYLVEAGLRAAGRVAGLIGT  180
			  	181  IGIRVGGADLPSALTTPEAPTLQAMLAAMVERGVDTVVMEVSSHALALGRVDGTRFAVGA  240
			  	241  FTNLSRDHLDFHPSMADYFEAKASLFDPDSALRARTAVVCIDDDAGRAMAARAADAITVS  300
			  	301  AADRPAHWRATDVAPTDAGGQQFTAIDPAGVGHHIGIRLPGRYNVANCLVALAILDTVGV  360
			  	361  SPEQAVPGLREIRVPGRLEQIDRGQGFLALVDYAHKPEALRSVLTTLAHPDRRLAVVFGA  420
			  	421  GGDRDPGKRAPMGRIAAQLADLVVVTDDNPRDEDPTAIRREILAGAAEVGGDAQVVEIAD  480
			  	481  RRDAIRHAVAWARPGDVVLIAGKGHETGQRGGGRVRPFDDRVELAAALEALERRA

Known structures in the PDB

	PDB ID	2WTZ
	Total residue count	2140
	Number of chains	4
	Method	X-RAY
	Resolution	3

	PDB ID	2XJA
	Total residue count	2140
	Number of chains	4
	Method	X-RAY
	Resolution	3

Number of amino acids : 535

Domains assigned based on sequence.

Mtb Structural proteome models

CHOPIN models

Profile-based domain assignment

Structural/Functional domain family	Pfam acc.no./SCOP ID	Domain Region
Mur_ligase	PF01225	61-139
Mur_ligase_M	PF08245	151-355
Mur_ligase_C	PF02875	374-459

Mtb Structural Proteome models

Model Number	1
Model name	Rv2158c_2wtl_A
Template	2WTL APDB CREDO
Template coverage	2_162
Template Identity(%)	100.0
Model coverage(%)	29.9
Normalized DOPE score	-2.173

Model Number	2
Model name	Rv2158c_2xja_A
Template	2XJA APDB CREDO
Template coverage	26_532
Template Identity(%)	100.0
Model coverage(%)	94.6
Normalized DOPE score	-1.315

Model Number	3
Model name	Rv2158c
Template	1E8C APDB CREDO
Template coverage	25_490
Template Identity(%)	38.4
Model coverage(%)	86.4
Normalized DOPE score	-0.493

Model Number	4
Model name	Rv2158c.1
Template	4UAG APDB CREDO
Template coverage	1_437
Template Identity(%)	20.6
Model coverage(%)	95.3
Normalized DOPE score	0.799

Structure Models from Chopin

Model Number	1
Profile	3.40.1190.10, 3.90.190.20 Click for model details
zscore	78.44
Residue begin	26
Residue end	533

Model Number	2
Profile	c.72.2.1 Click for model details
zscore	27.79
Residue begin	133
Residue end	375

Model Number	3
Profile	3.40.1390.10 Click for model details
zscore	18.7
Residue begin	32
Residue end	141

Model Number	4
Profile	c.59.1.1 Click for model details
zscore	16.68
Residue begin	372
Residue end	535

Binding pockets

STRING

Cytoscape Web will replace the contents of this div with protein-protein interaction network.

Protein interacting with Rv2158c	Gene name	Confidence Score
Rv2156c	murX	0.999
Rv2156c	murX	0.999
Rv2153c	murG	0.999
Rv2157c	murF	0.999
Rv2153c	murG	0.999
Rv2157c	murF	0.999
Rv2154c	ftsW	0.999
Rv2157c	murF	0.999
Rv2155c	murD	0.999
Rv2155c	murD	0.999
Rv0017c	rodA	0.997
Rv2150c	ftsZ	0.996
Rv2150c	ftsZ	0.996
Rv0482	murB	0.995
Rv0482	murB	0.995
Rv2981c	ddlA	0.994
Rv2981c	ddlA	0.994
Rv1315	murA	0.993
Rv2163c	pbpB	0.992
Rv2163c	pbpB	0.992
Rv2726c	dapF	0.991
Rv2152c	murC	0.99
Rv2152c	murC	0.99
Rv2152c	murC	0.99
Rv2165c	Rv2165c	0.984
Rv2166c	Rv2166c	0.98
Rv1293	lysA	0.932
Rv1293	lysA	0.932
Rv2151c	ftsQ	0.929
Rv2151c	ftsQ	0.929
Rv2361c	Rv2361c	0.921
Rv2748c	ftsK	0.916
Rv2748c	ftsK	0.916
Rv2748c	ftsK	0.916

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv2158c.1	42	1jg3_ADN_A_500 PDB CREDO	0.658	0.116	0.634	0.001
Rv2158c.1	42	1ict_T44_D_129 PDB CREDO	0.711	0.073	0.633	0.001
Rv2158c.1	33	3cs9_NIL_D_600 PDB CREDO	0.701	0.080	0.633	0.001
Rv2158c.1	33	3gp0_NIL_A_1 PDB CREDO	0.680	0.097	0.629	0.001
Rv2158c.1	33	3cs9_NIL_C_600 PDB CREDO	0.696	0.084	0.628	0.001
Rv2158c.1	42	1jg2_ADN_A_500 PDB CREDO	0.718	0.068	0.621	0.001
Rv2158c.1	42	1jg3_ADN_B_550 PDB CREDO	0.664	0.111	0.616	0.002
Rv2158c.1	42	2xpv_MIY_A_1209 PDB CREDO	0.686	0.092	0.615	0.002
Rv2158c.1	16	3ucb_017_A_201 PDB CREDO	0.785	0.031	0.613	0.002
Rv2158c.1	33	2fxd_DR7_A_102 PDB CREDO	0.696	0.084	0.611	0.002
Rv2158c.1	16	3oxc_ROC_A_401 PDB CREDO	0.636	0.139	0.609	0.002
Rv2158c.1	42	3ri5_IVM_A_349 PDB CREDO	0.630	0.145	0.607	0.002
Rv2158c.1	42	3q1e_T44_C_128 PDB CREDO	0.628	0.147	0.605	0.002
Rv2158c.1	33	3rgf_BAX_A_465 PDB CREDO	0.769	0.038	0.604	0.002
Rv2158c.1	42	3rhw_IVM_A_348 PDB CREDO	0.627	0.148	0.604	0.002
Rv2158c.1	42	3ria_IVM_E_349 PDB CREDO	0.627	0.148	0.604	0.002
Rv2158c.1	42	3e22_LOC_D_700 PDB CREDO	0.849	0.011	0.603	0.002
Rv2158c.1	42	3e22_LOC_B_700 PDB CREDO	0.847	0.011	0.601	0.002
Rv2158c.1	33	2aqu_DR7_B_300 PDB CREDO	0.600	0.179	0.600	0.002
Rv2158c.1	42	3ri5_IVM_D_349 PDB CREDO	0.622	0.154	0.599	0.002
Rv2158c.1	42	3rhw_IVM_D_348 PDB CREDO	0.620	0.155	0.597	0.002
Rv2158c.1	42	3ri5_IVM_B_349 PDB CREDO	0.620	0.155	0.597	0.002
Rv2158c.1	42	3ri5_IVM_C_350 PDB CREDO	0.642	0.133	0.596	0.002
Rv2158c.1	42	3rif_IVM_A_403 PDB CREDO	0.642	0.133	0.596	0.002
Rv2158c.1	42	3rhw_IVM_B_348 PDB CREDO	0.619	0.157	0.596	0.002
Rv2158c.1	42	3rhw_IVM_D_349 PDB CREDO	0.619	0.157	0.596	0.002
Rv2158c.1	42	3ria_IVM_A_348 PDB CREDO	0.619	0.157	0.596	0.002
Rv2158c.1	42	3rhw_IVM_B_349 PDB CREDO	0.618	0.158	0.595	0.002
Rv2158c.1	42	3ria_IVM_C_350 PDB CREDO	0.618	0.158	0.595	0.002
Rv2158c.1	33	1opj_STI_A_3 PDB CREDO	0.715	0.070	0.595	0.002
Rv2158c.1	42	3rif_IVM_B_403 PDB CREDO	0.639	0.135	0.594	0.002
Rv2158c.1	42	3ria_IVM_E_348 PDB CREDO	0.617	0.159	0.594	0.002
Rv2158c.1	42	3rif_IVM_A_402 PDB CREDO	0.638	0.137	0.593	0.002
Rv2158c.1	33	1opj_STI_B_4 PDB CREDO	0.713	0.071	0.593	0.002
Rv2158c.1	42	3ria_IVM_C_349 PDB CREDO	0.637	0.137	0.592	0.002
Rv2158c.1	42	3rif_IVM_E_402 PDB CREDO	0.615	0.162	0.592	0.002
Rv2158c.1	42	3rif_IVM_D_402 PDB CREDO	0.637	0.138	0.592	0.002
Rv2158c.1	33	3oxx_DR7_A_100 PDB CREDO	0.590	0.191	0.590	0.003
Rv2158c.1	33	3eky_DR7_A_100 PDB CREDO	0.620	0.155	0.590	0.003
Rv2158c.1	16	3k4v_ROC_B_201 PDB CREDO	0.601	0.177	0.589	0.003
Rv2158c.1	33	2r5p_MK1_D_902 PDB CREDO	0.619	0.157	0.588	0.003
Rv2158c.1	42	1ict_T44_C_128 PDB CREDO	0.715	0.070	0.588	0.003
Rv2158c.1	33	2fxe_DR7_A_102 PDB CREDO	0.618	0.158	0.587	0.003
Rv2158c.1	33	3em4_DR7_V_100 PDB CREDO	0.618	0.158	0.587	0.003
Rv2158c.1	16	3d1x_ROC_A_201 PDB CREDO	0.613	0.164	0.587	0.003
Rv2158c.1	33	2r5p_MK1_B_902 PDB CREDO	0.617	0.160	0.586	0.003
Rv2158c.1	33	3ogq_AB1_A_200 PDB CREDO	0.601	0.178	0.586	0.003
Rv2158c.1	16	3tkg_ROC_B_801 PDB CREDO	0.586	0.197	0.586	0.003
Rv2158c.1	16	3ndt_ROC_A_101 PDB CREDO	0.610	0.167	0.585	0.003
Rv2158c.1	33	3k5v_STI_A_2 PDB CREDO	0.723	0.065	0.584	0.003
Rv2158c.1	33	1hsh_MK1_A_401 PDB CREDO	0.664	0.111	0.583	0.003
Rv2158c.1	33	3el9_DR7_A_100 PDB CREDO	0.663	0.112	0.582	0.003
Rv2158c.1	16	3cyx_ROC_A_201 PDB CREDO	0.677	0.099	0.581	0.003
Rv2158c.1	16	3tl9_ROC_A_401 PDB CREDO	0.632	0.142	0.580	0.003
Rv2158c.1	33	3cs9_NIL_A_600 PDB CREDO	0.697	0.083	0.579	0.003
Rv2158c.1	33	1sdv_MK1_B_902 PDB CREDO	0.642	0.132	0.579	0.003
Rv2158c.1	42	3ut5_LOC_D_502 PDB CREDO	0.816	0.019	0.579	0.003
Rv2158c.1	33	1hxw_RIT_B_301 PDB CREDO	0.609	0.168	0.579	0.003
Rv2158c.1	33	1c6z_ROC_B_505 PDB CREDO	0.593	0.188	0.578	0.003
Rv2158c.1	33	3ndt_ROC_D_100 PDB CREDO	0.637	0.138	0.577	0.003
Rv2158c.1	33	3s56_ROC_A_201 PDB CREDO	0.655	0.119	0.576	0.003
Rv2158c.1	33	2nnk_ROC_A_401 PDB CREDO	0.634	0.140	0.575	0.003
Rv2158c.1	33	3cs9_NIL_B_600 PDB CREDO	0.672	0.104	0.574	0.003
Rv2158c.1	33	3oez_STI_A_601 PDB CREDO	0.751	0.047	0.574	0.003
Rv2158c.1	16	2pym_1UN_A_1001 PDB CREDO	0.787	0.030	0.571	0.004
Rv2158c.1	16	2pyn_1UN_A_1001 PDB CREDO	0.787	0.030	0.571	0.004
Rv2158c.1	16	2qak_1UN_A_1001 PDB CREDO	0.787	0.030	0.571	0.004
Rv2158c.1	42	1ie4_T44_B_328 PDB CREDO	0.616	0.160	0.571	0.004
Rv2158c.1	16	2q64_1UN_B_1001 PDB CREDO	0.787	0.030	0.571	0.004
Rv2158c.1	33	1hsh_MK1_C_402 PDB CREDO	0.648	0.127	0.569	0.004
Rv2158c.1	16	2q63_1UN_A_1001 PDB CREDO	0.781	0.032	0.567	0.004
Rv2158c.1	33	1sdt_MK1_B_902 PDB CREDO	0.610	0.167	0.567	0.004
Rv2158c.1	42	2xpw_OTC_A_222 PDB CREDO	0.611	0.166	0.566	0.004
Rv2158c.1	33	1sh9_RIT_B_301 PDB CREDO	0.643	0.131	0.565	0.004
Rv2158c.1	16	3tkg_ROC_C_901 PDB CREDO	0.674	0.102	0.565	0.004
Rv2158c.1	42	3f4x_KLT_A_300 PDB CREDO	0.586	0.197	0.564	0.004
Rv2158c.1	33	1t46_STI_A_3 PDB CREDO	0.625	0.150	0.564	0.004
Rv2158c.1	33	1hxb_ROC_A_100 PDB CREDO	0.578	0.207	0.564	0.004
Rv2158c.1	33	3oxx_DR7_C_100 PDB CREDO	0.592	0.189	0.563	0.004
Rv2158c.1	42	2vke_TAC_A_222 PDB CREDO	0.607	0.171	0.563	0.004
Rv2158c.1	33	3d1y_ROC_A_201 PDB CREDO	0.591	0.191	0.562	0.004
Rv2158c.1	42	2ito_IRE_A_2020 PDB CREDO	0.583	0.199	0.562	0.004
Rv2158c.1	16	2f80_017_B_301 PDB CREDO	0.774	0.036	0.561	0.004
Rv2158c.1	33	2qxs_RAL_B_600 PDB CREDO	0.654	0.120	0.559	0.004
Rv2158c.1	16	1k6c_MK1_B_902 PDB CREDO	0.699	0.082	0.559	0.004
Rv2158c.1	33	3pyy_STI_A_3 PDB CREDO	0.731	0.059	0.559	0.004
Rv2158c.1	33	3mss_STI_B_1 PDB CREDO	0.730	0.059	0.558	0.004
Rv2158c.1	33	3gvu_STI_A_1001 PDB CREDO	0.730	0.060	0.558	0.004
Rv2158c.1	42	1sa1_POD_D_701 PDB CREDO	0.862	0.008	0.558	0.004
Rv2158c.1	33	1iep_STI_B_202 PDB CREDO	0.730	0.060	0.558	0.004
Rv2158c.1	33	3mss_STI_D_1 PDB CREDO	0.730	0.060	0.558	0.004
Rv2158c.1	33	2avv_MK1_A_901 PDB CREDO	0.629	0.146	0.557	0.004
Rv2158c.1	33	2avv_MK1_E_902 PDB CREDO	0.629	0.146	0.557	0.004
Rv2158c.1	33	1iep_STI_A_201 PDB CREDO	0.729	0.060	0.557	0.004
Rv2158c.1	33	3pyy_STI_B_4 PDB CREDO	0.729	0.060	0.557	0.004
Rv2158c.1	42	3ri5_IVM_E_349 PDB CREDO	0.625	0.150	0.557	0.004
Rv2158c.1	16	3nu5_478_B_401 PDB CREDO	0.569	0.218	0.557	0.004
Rv2158c.1	33	2hyy_STI_C_600 PDB CREDO	0.728	0.061	0.557	0.004
Rv2158c.1	33	2hyy_STI_D_600 PDB CREDO	0.728	0.061	0.556	0.005
Rv2158c.1	33	3k5v_STI_B_2 PDB CREDO	0.728	0.061	0.556	0.005
Rv2158c.1	33	3mss_STI_A_1 PDB CREDO	0.728	0.061	0.556	0.005
Rv2158c.1	42	1ya3_STR_C_3001 PDB CREDO	0.577	0.207	0.556	0.005
Rv2158c.1	42	3ut5_LOC_B_502 PDB CREDO	0.834	0.014	0.556	0.005
Rv2158c.1	33	2hyy_STI_A_600 PDB CREDO	0.727	0.062	0.556	0.005
Rv2158c.1	33	3em4_DR7_A_100 PDB CREDO	0.633	0.142	0.556	0.005
Rv2158c.1	33	3ms9_STI_B_1 PDB CREDO	0.727	0.062	0.555	0.005
Rv2158c.1	33	3mss_STI_C_1 PDB CREDO	0.727	0.062	0.555	0.005
Rv2158c.1	16	2nmy_ROC_A_401 PDB CREDO	0.633	0.142	0.555	0.005
Rv2158c.1	16	1t7i_017_A_200 PDB CREDO	0.694	0.085	0.555	0.005
Rv2158c.1	16	3ogq_AB1_A_200 PDB CREDO	0.804	0.023	0.555	0.005
Rv2158c.1	33	3ms9_STI_A_1 PDB CREDO	0.725	0.063	0.554	0.005
Rv2158c.1	16	3ndu_ROC_D_100 PDB CREDO	0.645	0.129	0.553	0.005
Rv2158c.1	33	2qxs_RAL_A_600 PDB CREDO	0.646	0.129	0.552	0.005
Rv2158c.1	33	1sdu_MK1_B_902 PDB CREDO	0.566	0.222	0.552	0.005
Rv2158c.1	16	2f8g_017_B_401 PDB CREDO	0.563	0.226	0.551	0.005
Rv2158c.1	42	2xn5_FUN_A_1356 PDB CREDO	0.644	0.130	0.551	0.005
Rv2158c.1	16	3gp0_NIL_A_1 PDB CREDO	0.841	0.012	0.551	0.005
Rv2158c.1	42	3bbt_FMM_D_91 PDB CREDO	0.659	0.116	0.551	0.005
Rv2158c.1	33	3el1_DR7_A_100 PDB CREDO	0.565	0.223	0.551	0.005
Rv2158c.1	42	1sa1_POD_B_700 PDB CREDO	0.876	0.006	0.550	0.005
Rv2158c.1	33	3k4v_ROC_D_201 PDB CREDO	0.636	0.138	0.550	0.005
Rv2158c.1	33	1rl8_RIT_A_9001 PDB CREDO	0.578	0.206	0.550	0.005
Rv2158c.1	42	2o7o_DXT_A_222 PDB CREDO	0.642	0.133	0.549	0.005
Rv2158c.1	42	3q1e_T44_D_328 PDB CREDO	0.727	0.062	0.549	0.005
Rv2158c.1	33	3ggu_017_B_201 PDB CREDO	0.577	0.208	0.548	0.005
Rv2158c.1	16	3ndu_ROC_A_101 PDB CREDO	0.620	0.156	0.548	0.005
Rv2158c.1	33	2avo_MK1_B_902 PDB CREDO	0.562	0.227	0.548	0.005
Rv2158c.1	33	1xkk_FMM_A_91 PDB CREDO	0.577	0.208	0.548	0.005
Rv2158c.1	16	3bvb_017_B_401 PDB CREDO	0.719	0.067	0.548	0.005
Rv2158c.1	42	3spk_TPV_A_100 PDB CREDO	0.678	0.099	0.548	0.005
Rv2158c.1	33	3ekw_DR7_B_100 PDB CREDO	0.562	0.228	0.548	0.005
Rv2158c.1	33	2b60_RIT_B_100 PDB CREDO	0.591	0.190	0.547	0.005
Rv2158c.1	42	1ya3_STR_A_1001 PDB CREDO	0.631	0.144	0.546	0.005
Rv2158c.1	42	3bbt_FMM_B_91 PDB CREDO	0.566	0.222	0.545	0.005
Rv2158c.1	33	1c6y_MK1_B_524 PDB CREDO	0.621	0.155	0.545	0.005
Rv2158c.1	42	1ya3_STR_B_2001 PDB CREDO	0.629	0.146	0.544	0.005
Rv2158c.1	33	3gcs_BAX_A_401 PDB CREDO	0.755	0.045	0.544	0.006
Rv2158c.1	33	3ekx_1UN_B_201 PDB CREDO	0.558	0.233	0.544	0.006
Rv2158c.1	33	2q64_1UN_B_1001 PDB CREDO	0.557	0.234	0.544	0.006
Rv2158c.1	33	1hsg_MK1_B_902 PDB CREDO	0.619	0.157	0.543	0.006
Rv2158c.1	33	2xkw_P1B_A_1478 PDB CREDO	0.557	0.235	0.543	0.006
Rv2158c.1	33	3t3c_017_A_201 PDB CREDO	0.635	0.140	0.543	0.006
Rv2158c.1	42	2trt_TAC_A_222 PDB CREDO	0.633	0.142	0.542	0.006
Rv2158c.1	33	2pym_1UN_A_1001 PDB CREDO	0.555	0.237	0.541	0.006
Rv2158c.1	16	3jvy_017_B_401 PDB CREDO	0.602	0.176	0.540	0.006
Rv2158c.1	33	2hyy_STI_B_600 PDB CREDO	0.772	0.036	0.540	0.006
Rv2158c.1	33	3heg_BAX_A_1 PDB CREDO	0.772	0.037	0.540	0.006
Rv2158c.1	33	3pwr_ROC_A_401 PDB CREDO	0.581	0.202	0.540	0.006
Rv2158c.1	16	3mws_017_B_201 PDB CREDO	0.539	0.259	0.539	0.006
Rv2158c.1	33	1ohr_1UN_A_201 PDB CREDO	0.614	0.163	0.539	0.006
Rv2158c.1	33	4asd_BAX_A_1500 PDB CREDO	0.748	0.049	0.539	0.006
Rv2158c.1	33	2bpx_MK1_B_902 PDB CREDO	0.666	0.109	0.539	0.006
Rv2158c.1	16	1rl8_RIT_A_9001 PDB CREDO	0.724	0.063	0.539	0.006
Rv2158c.1	16	3k4v_ROC_D_201 PDB CREDO	0.658	0.116	0.539	0.006
Rv2158c.1	33	3ufn_ROC_A_401 PDB CREDO	0.582	0.202	0.539	0.006
Rv2158c.1	33	2avs_MK1_B_902 PDB CREDO	0.552	0.241	0.538	0.006
Rv2158c.1	33	2qak_1UN_A_1001 PDB CREDO	0.552	0.241	0.538	0.006
Rv2158c.1	33	2pl0_STI_A_200 PDB CREDO	0.769	0.038	0.538	0.006
Rv2158c.1	16	3s54_017_B_201 PDB CREDO	0.550	0.245	0.538	0.006
Rv2158c.1	16	2nnp_ROC_A_401 PDB CREDO	0.673	0.103	0.538	0.006
Rv2158c.1	33	3ucb_017_A_201 PDB CREDO	0.593	0.187	0.538	0.006
Rv2158c.1	33	2f80_017_B_301 PDB CREDO	0.551	0.243	0.537	0.006
Rv2158c.1	16	3pwr_ROC_A_401 PDB CREDO	0.704	0.077	0.537	0.006
Rv2158c.1	33	3ndw_RIT_A_100 PDB CREDO	0.564	0.225	0.537	0.006
Rv2158c.1	33	2pyn_1UN_A_1001 PDB CREDO	0.549	0.246	0.535	0.006
Rv2158c.1	33	2q63_1UN_A_1001 PDB CREDO	0.548	0.247	0.535	0.006
Rv2158c.1	7	2xkw_P1B_A_1478 PDB CREDO	0.693	0.086	0.533	0.007
Rv2158c.1	33	1n49_RIT_B_301 PDB CREDO	0.640	0.134	0.533	0.007
Rv2158c.1	33	3ekv_478_A_200 PDB CREDO	0.544	0.252	0.531	0.007
Rv2158c.1	16	2o4s_AB1_A_400 PDB CREDO	0.554	0.239	0.531	0.007
Rv2158c.1	29	1rqj_RIS_A_901 PDB CREDO	0.625	0.150	0.530	0.007
Rv2158c.1	16	2ien_017_B_402 PDB CREDO	0.591	0.190	0.530	0.007
Rv2158c.1	33	3nu4_478_B_401 PDB CREDO	0.586	0.197	0.528	0.007
Rv2158c.1	33	4dqf_017_B_101 PDB CREDO	0.541	0.257	0.528	0.007
Rv2158c.1	33	3nuo_478_B_478 PDB CREDO	0.569	0.218	0.527	0.007
Rv2158c.1	33	2rkf_AB1_A_501 PDB CREDO	0.554	0.238	0.527	0.007
Rv2158c.1	33	2oiq_STI_A_1001 PDB CREDO	0.752	0.047	0.526	0.007
Rv2158c.1	33	3sm2_478_A_126 PDB CREDO	0.526	0.278	0.526	0.007
Rv2158c.1	33	3ndu_ROC_D_100 PDB CREDO	0.637	0.138	0.526	0.007
Rv2158c.1	16	3qoz_017_A_201 PDB CREDO	0.598	0.182	0.524	0.008
Rv2158c.1	29	1v8b_ADN_C_2502 PDB CREDO	0.524	0.282	0.524	0.008
Rv2158c.1	33	3d1z_017_B_201 PDB CREDO	0.578	0.207	0.524	0.008
Rv2158c.1	33	3nuj_478_B_401 PDB CREDO	0.537	0.263	0.523	0.008
Rv2158c.1	33	3em3_478_B_200 PDB CREDO	0.537	0.263	0.523	0.008
Rv2158c.1	33	3ekq_ROC_A_100 PDB CREDO	0.612	0.165	0.523	0.008
Rv2158c.1	33	3jw2_017_A_401 PDB CREDO	0.577	0.208	0.523	0.008
Rv2158c.1	33	2hs2_017_A_201 PDB CREDO	0.576	0.209	0.522	0.008
Rv2158c.1	33	3oxv_478_C_200 PDB CREDO	0.579	0.205	0.522	0.008
Rv2158c.1	33	1k6c_MK1_B_902 PDB CREDO	0.590	0.191	0.522	0.008
Rv2158c.1	33	3el4_ROC_A_100 PDB CREDO	0.589	0.192	0.522	0.008
Rv2158c.1	16	2ieo_017_A_402 PDB CREDO	0.637	0.138	0.521	0.008
Rv2158c.1	16	1hxb_ROC_A_100 PDB CREDO	0.718	0.068	0.521	0.008
Rv2158c.1	16	2nnk_ROC_A_401 PDB CREDO	0.668	0.108	0.521	0.008
Rv2158c.1	33	3bvb_017_B_401 PDB CREDO	0.561	0.229	0.521	0.008
Rv2158c.1	16	3ndt_ROC_D_100 PDB CREDO	0.667	0.108	0.521	0.008
Rv2158c.1	33	3nu6_478_B_401 PDB CREDO	0.609	0.168	0.521	0.008
Rv2158c.1	33	2o4k_DR7_A_301 PDB CREDO	0.616	0.160	0.520	0.008
Rv2158c.1	33	2qhc_AB1_B_9001 PDB CREDO	0.660	0.114	0.519	0.008
Rv2158c.1	33	3s53_017_A_201 PDB CREDO	0.624	0.151	0.519	0.008
Rv2158c.1	42	3oht_1N1_A_1000 PDB CREDO	0.519	0.289	0.519	0.008
Rv2158c.1	42	3sxr_1N1_A_1 PDB CREDO	0.583	0.200	0.519	0.008
Rv2158c.1	7	1xkk_FMM_A_91 PDB CREDO	0.692	0.087	0.519	0.008
Rv2158c.1	33	4dqb_017_B_101 PDB CREDO	0.575	0.210	0.519	0.008
Rv2158c.1	42	3h52_486_C_4 PDB CREDO	0.558	0.232	0.519	0.008
Rv2158c.1	16	1xkk_FMM_A_91 PDB CREDO	0.771	0.037	0.518	0.008
Rv2158c.1	33	2b7z_MK1_B_200 PDB CREDO	0.678	0.098	0.518	0.008
Rv2158c.1	33	3oez_STI_B_601 PDB CREDO	0.812	0.020	0.518	0.008
Rv2158c.1	42	1p93_DEX_A_1999 PDB CREDO	0.619	0.157	0.518	0.008
Rv2158c.1	33	1t7i_017_A_200 PDB CREDO	0.585	0.198	0.518	0.008
Rv2158c.1	16	3tkw_017_B_401 PDB CREDO	0.552	0.241	0.517	0.008
Rv2158c.1	29	1d4f_ADN_A_601 PDB CREDO	0.516	0.294	0.516	0.009
Rv2158c.1	16	3ufn_ROC_A_401 PDB CREDO	0.787	0.030	0.516	0.009
Rv2158c.1	33	3nu9_478_A_401 PDB CREDO	0.637	0.138	0.515	0.009
Rv2158c.1	33	4dqc_017_A_101 PDB CREDO	0.603	0.176	0.515	0.009
Rv2158c.1	16	3d20_017_A_201 PDB CREDO	0.615	0.162	0.515	0.009
Rv2158c.1	42	3jwq_VIA_B_901 PDB CREDO	0.554	0.238	0.515	0.009
Rv2158c.1	16	3d1z_017_B_201 PDB CREDO	0.659	0.115	0.515	0.009
Rv2158c.1	33	2nmy_ROC_A_401 PDB CREDO	0.638	0.137	0.515	0.009
Rv2158c.1	33	3lzv_017_A_200 PDB CREDO	0.636	0.138	0.515	0.009
Rv2158c.1	16	3el4_ROC_A_100 PDB CREDO	0.643	0.131	0.514	0.009
Rv2158c.1	16	3ndw_RIT_A_100 PDB CREDO	0.691	0.088	0.514	0.009
Rv2158c.1	16	2hs2_017_A_201 PDB CREDO	0.657	0.117	0.513	0.009
Rv2158c.1	42	2itz_IRE_A_2021 PDB CREDO	0.599	0.180	0.513	0.009
Rv2158c.1	33	3hec_STI_A_1 PDB CREDO	0.804	0.023	0.513	0.009
Rv2158c.1	33	3s43_478_A_401 PDB CREDO	0.539	0.260	0.512	0.009
Rv2158c.1	42	3ads_IMN_B_3 PDB CREDO	0.678	0.099	0.512	0.009
Rv2158c.1	42	1p93_DEX_B_2999 PDB CREDO	0.612	0.165	0.512	0.009
Rv2158c.1	42	2ity_IRE_A_2020 PDB CREDO	0.574	0.211	0.512	0.009
Rv2158c.1	33	1sgu_MK1_B_2632 PDB CREDO	0.669	0.107	0.511	0.009
Rv2158c.1	33	3ogp_017_B_200 PDB CREDO	0.667	0.108	0.510	0.009
Rv2158c.1	33	2ieo_017_A_402 PDB CREDO	0.588	0.194	0.508	0.010
Rv2158c.1	33	3el0_1UN_A_201 PDB CREDO	0.628	0.147	0.508	0.010
Rv2158c.1	42	3adx_IMN_B_3 PDB CREDO	0.593	0.188	0.507	0.010
Rv2158c.1	33	3em6_017_A_200 PDB CREDO	0.627	0.148	0.507	0.010
Rv2158c.1	16	2o4l_TPV_A_403 PDB CREDO	0.590	0.191	0.506	0.010
Rv2158c.1	29	3glq_RAB_A_602 PDB CREDO	0.506	0.309	0.506	0.010
Rv2158c.1	42	2h42_VIA_A_901 PDB CREDO	0.604	0.174	0.505	0.010
Rv2158c.1	33	3ogp_017_A_200 PDB CREDO	0.721	0.065	0.505	0.010
Rv2158c.1	42	3sxr_1N1_B_2 PDB CREDO	0.589	0.192	0.505	0.010
Rv2158c.1	33	3oxw_017_B_200 PDB CREDO	0.607	0.171	0.504	0.010
Rv2158c.1	42	2aa6_STR_A_401 PDB CREDO	0.644	0.130	0.504	0.010
Rv2158c.1	33	2jfa_RAL_B_600 PDB CREDO	0.765	0.040	0.504	0.010
Rv2158c.1	33	2q5k_AB1_A_201 PDB CREDO	0.589	0.192	0.504	0.010
Rv2158c.1	33	3n3i_ROC_A_201 PDB CREDO	0.606	0.172	0.504	0.010
Rv2158c.1	33	4dqh_017_B_101 PDB CREDO	0.606	0.172	0.504	0.010
Rv2158c.1	42	2aa5_STR_A_301 PDB CREDO	0.644	0.131	0.503	0.010
Rv2158c.1	33	2r5q_1UN_B_900 PDB CREDO	0.678	0.099	0.503	0.010
Rv2158c.1	33	2r5q_1UN_D_900 PDB CREDO	0.678	0.099	0.503	0.010
Rv2158c.1	33	2o4p_TPV_A_300 PDB CREDO	0.677	0.099	0.503	0.010
Rv2158c.1	29	3n58_ADN_C_500 PDB CREDO	0.503	0.314	0.503	0.010
Rv2158c.1	33	2z54_AB1_A_200 PDB CREDO	0.676	0.100	0.502	0.011
Rv2158c.1	33	3ttp_017_A_201 PDB CREDO	0.621	0.155	0.502	0.011
Rv2158c.1	42	3jwq_VIA_D_901 PDB CREDO	0.600	0.179	0.502	0.011
Rv2158c.1	33	1t3r_017_A_1200 PDB CREDO	0.541	0.257	0.502	0.011
Rv2158c.1	42	2aa5_STR_B_302 PDB CREDO	0.642	0.133	0.502	0.011
Rv2158c.1	42	2aa6_STR_B_402 PDB CREDO	0.641	0.134	0.501	0.011
Rv2158c.1	33	3oxw_017_D_200 PDB CREDO	0.602	0.177	0.501	0.011
Rv2158c.1	42	2aax_PDN_A_502 PDB CREDO	0.640	0.134	0.501	0.011
Rv2158c.1	7	3bjw_SVR_B_501 PDB CREDO	0.667	0.108	0.500	0.011
Rv2158c.1	16	2avo_MK1_B_902 PDB CREDO	0.690	0.089	0.500	0.011
Rv2158c.1	7	3bjw_SVR_E_503 PDB CREDO	0.722	0.065	0.500	0.011

Similarity to known drug target from sensitive sequence analysis

No drug targets

List of small molecules tested from TIBLE

Data not available

Off-target activity - ligand based from TIBLE

Data not available

Small molecules involved in protein-protein complex from TIMBAL .Proteins similar to Mtb based on sequence analysis.

Data not available

STITCH interactions

Chemical Name	Confidence score	Molecular Weight
UAGPubChem	0.998	879.608
diaminopimelic acidPubChem	0.994	190.197
meso-diaminopimelatePubChem	0.992	190.197
adenosine diphosphatePubChem	0.989	427.201
N(6)-carboxy-L-lysinePubChem	0.965	190.197
UDP-N-acetylmuramoyl-L-alaninePubChem	0.938	750.494
magnesiumPubChem	0.928	24.305
phosphatePubChem	0.926	96.9872
D-glutamatePubChem	0.923	147.129
glutamatePubChem	0.921	147.129
D-Ala-D-AlaPubChem	0.9	160.171
deuteriumPubChem	0.9	2.01588
C04882PubChem	0.9	1193.95
C04877PubChem	0.9	1051.79
H(+)PubChem	0.9	2.01588
protiumPubChem	0.9	2.01576
adenosine triphosphatePubChem	0.9	507.181
dialaninePubChem	0.9	160.171
UDP-MurNAcPubChem	0.889	679.416
L-lysinePubChem	0.746	146.188
poly-D-lysinePubChem	0.7	146.188