SInCRe - Rv2780

Tuberculist information

Gene name	ald
Protein function	Secreted L-alanine dehydrogenase Ald (40 kDa antigen) (TB43)
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	3086.82
Molecular mass(da)	38713.2
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 371

	  		  	1    MRVGIPTETKNNEFRVAITPAGVAELTRRGHEVLIQAGAGEGSAITDADFKAAGAQLVGT   60
			  	61   ADQVWADADLLLKVKEPIAAEYGRLRHGQILFTFLHLAASRACTDALLDSGTTSIAYETV  120
			  	121  QTADGALPLLAPMSEVAGRLAAQVGAYHLMRTQGGRGVLMGGVPGVEPADVVVIGAGTAG  180
			  	181  YNAARIANGMGATVTVLDINIDKLRQLDAEFCGRIHTRYSSAYELEGAVKRADLVIGAVL  240
			  	241  VPGAKAPKLVSNSLVAHMKPGAVLVDIAIDQGGCFEGSRPTTYDHPTFAVHDTLFYCVAN  300
			  	301  MPASVPKTSTYALTNATMPYVLELADHGWRAACRSNPALAKGLSTHEGALLSERVATDLG  360
			  	361  VPFTEPASVLA

Known structures in the PDB

	PDB ID	2VHV
	Total residue count	754
	Number of chains	2
	Method	X-RAY
	Resolution	2.8

	PDB ID	2VHW
	Total residue count	2262
	Number of chains	6
	Method	X-RAY
	Resolution	2

	PDB ID	2VHX
	Total residue count	2262
	Number of chains	6
	Method	X-RAY
	Resolution	2

	PDB ID	2VHY
	Total residue count	754
	Number of chains	2
	Method	X-RAY
	Resolution	2.3

	PDB ID	2VHZ
	Total residue count	754
	Number of chains	2
	Method	X-RAY
	Resolution	2.04

	PDB ID	2VOE
	Total residue count	2226
	Number of chains	6
	Method	X-RAY
	Resolution	2.6

	PDB ID	2VOJ
	Total residue count	1113
	Number of chains	3
	Method	X-RAY
	Resolution	2.6

	PDB ID	4LMP
	Total residue count	371
	Number of chains	1
	Method	X-RAY
	Resolution	1.95

Number of amino acids : 371

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
AlaDh_PNT_N	PF05222	4-137
AlaDh_PNT_C	PF01262	149-297

Mtb Structural Proteome models

Model Number	1
Model name	Rv2780_2vhx_A
Template	2VHX APDB CREDO
Template coverage	1_371
Template Identity(%)	100.0
Model coverage(%)	99.7
Normalized DOPE score	-1.465

Model Number	2
Model name	Rv2780
Template	1PJC APDB CREDO
Template coverage	1_358
Template Identity(%)	48.9
Model coverage(%)	96.8
Normalized DOPE score	-0.732

Structure Models from Chopin

Model Number	1
Profile	3.40.50.1770 Click for model details
zscore	35.46
Residue begin	1
Residue end	194

Model Number	2
Profile	c.2.1.4 Click for model details
zscore	13.83
Residue begin	149
Residue end	297

Model Number	3
Profile	c.2.1.4 Click for model details
zscore	8.02
Residue begin	3
Residue end	370

Binding pockets

STRING

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

Protein interacting with Rv2780	Gene name	Confidence Score
Rv3423c	alr	0.996
Rv3423c	alr	0.996
Rv3339c	icd1	0.929
Rv2779c	Rv2779c	0.902
Rv2779c	Rv2779c	0.902

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv2780_2vhx_A	5	3spk_TPV_B_100 PDB CREDO	0.708	0.074	0.688	0.000
Rv2780_2vhx_A	5	1n49_RIT_D_401 PDB CREDO	0.659	0.116	0.659	0.001
Rv2780_2vhx_A	5	4asd_BAX_A_1500 PDB CREDO	0.686	0.092	0.647	0.001
Rv2780_2vhx_A	5	3gp0_NIL_A_1 PDB CREDO	0.782	0.032	0.645	0.001
Rv2780_2vhx_A	5	3oez_STI_A_601 PDB CREDO	0.639	0.135	0.639	0.001
Rv2780_2vhx_A	7	1hwk_117_B_1 PDB CREDO	0.668	0.108	0.631	0.001
Rv2780_2vhx_A	5	3gcs_BAX_A_401 PDB CREDO	0.668	0.107	0.630	0.001
Rv2780_2vhx_A	5	1n49_RIT_B_301 PDB CREDO	0.680	0.097	0.624	0.001
Rv2780_2vhx_A	5	2qxs_RAL_A_600 PDB CREDO	0.696	0.084	0.622	0.001
Rv2780_2vhx_A	5	3heg_BAX_A_1 PDB CREDO	0.679	0.098	0.622	0.001
Rv2780_2vhx_A	5	2qxs_RAL_B_600 PDB CREDO	0.695	0.085	0.621	0.001
Rv2780_2vhx_A	7	3spk_TPV_B_100 PDB CREDO	0.666	0.109	0.611	0.002
Rv2780_2vhx_A	7	1xkk_FMM_A_91 PDB CREDO	0.717	0.069	0.610	0.002
Rv2780_2vhx_A	5	3el0_1UN_A_201 PDB CREDO	0.645	0.130	0.609	0.002
Rv2780_2vhx_A	5	1t46_STI_A_3 PDB CREDO	0.719	0.067	0.609	0.002
Rv2780_2vhx_A	5	3el9_DR7_A_100 PDB CREDO	0.699	0.081	0.609	0.002
Rv2780_2vhx_A	5	3pyy_STI_B_4 PDB CREDO	0.607	0.171	0.607	0.002
Rv2780_2vhx_A	5	2jfa_RAL_A_600 PDB CREDO	0.727	0.062	0.607	0.002
Rv2780_2vhx_A	5	2jfa_RAL_B_600 PDB CREDO	0.702	0.079	0.605	0.002
Rv2780_2vhx_A	5	2pl0_STI_A_200 PDB CREDO	0.660	0.115	0.605	0.002
Rv2780_2vhx_A	5	3cs9_NIL_A_600 PDB CREDO	0.658	0.117	0.604	0.002
Rv2780_2vhx_A	5	2oiq_STI_A_1001 PDB CREDO	0.660	0.115	0.604	0.002
Rv2780_2vhx_A	5	1iep_STI_A_201 PDB CREDO	0.603	0.176	0.603	0.002
Rv2780_2vhx_A	5	3k5v_STI_B_2 PDB CREDO	0.602	0.176	0.602	0.002
Rv2780_2vhx_A	5	3pyy_STI_A_3 PDB CREDO	0.602	0.176	0.602	0.002
Rv2780_2vhx_A	5	2hyy_STI_A_600 PDB CREDO	0.602	0.177	0.602	0.002
Rv2780_2vhx_A	5	3mss_STI_B_1 PDB CREDO	0.602	0.177	0.602	0.002
Rv2780_2vhx_A	5	2hyy_STI_C_600 PDB CREDO	0.601	0.177	0.601	0.002
Rv2780_2vhx_A	5	3mss_STI_D_1 PDB CREDO	0.601	0.177	0.601	0.002
Rv2780_2vhx_A	5	3mss_STI_C_1 PDB CREDO	0.600	0.178	0.600	0.002
Rv2780_2vhx_A	5	3gvu_STI_A_1001 PDB CREDO	0.600	0.179	0.600	0.002
Rv2780_2vhx_A	5	3ms9_STI_B_1 PDB CREDO	0.600	0.179	0.600	0.002
Rv2780_2vhx_A	7	1t46_STI_A_3 PDB CREDO	0.669	0.107	0.600	0.002
Rv2780_2vhx_A	5	3lzv_017_A_200 PDB CREDO	0.634	0.140	0.599	0.002
Rv2780_2vhx_A	5	1err_RAL_A_600 PDB CREDO	0.696	0.084	0.599	0.002
Rv2780_2vhx_A	5	3ms9_STI_A_1 PDB CREDO	0.599	0.180	0.599	0.002
Rv2780_2vhx_A	5	3mss_STI_A_1 PDB CREDO	0.599	0.180	0.599	0.002
Rv2780_2vhx_A	5	1iep_STI_B_202 PDB CREDO	0.599	0.180	0.599	0.002
Rv2780_2vhx_A	5	2hyy_STI_D_600 PDB CREDO	0.599	0.180	0.599	0.002
Rv2780_2vhx_A	5	1xkk_FMM_A_91 PDB CREDO	0.743	0.052	0.597	0.002
Rv2780_2vhx_A	5	1err_RAL_B_600 PDB CREDO	0.693	0.086	0.597	0.002
Rv2780_2vhx_A	5	1opj_STI_A_3 PDB CREDO	0.649	0.126	0.596	0.002
Rv2780_2vhx_A	5	3cs9_NIL_C_600 PDB CREDO	0.702	0.079	0.595	0.002
Rv2780_2vhx_A	5	3ogp_017_B_200 PDB CREDO	0.594	0.186	0.594	0.002
Rv2780_2vhx_A	5	2hyy_STI_B_600 PDB CREDO	0.648	0.127	0.593	0.002
Rv2780_2vhx_A	5	1opj_STI_B_4 PDB CREDO	0.642	0.133	0.590	0.003
Rv2780_2vhx_A	5	1t7j_478_A_200 PDB CREDO	0.663	0.112	0.589	0.003
Rv2780_2vhx_A	5	3so9_017_A_100 PDB CREDO	0.662	0.113	0.588	0.003
Rv2780_2vhx_A	5	3ogp_017_A_200 PDB CREDO	0.642	0.133	0.588	0.003
Rv2780_2vhx_A	7	1hwk_117_A_2 PDB CREDO	0.659	0.116	0.587	0.003
Rv2780_2vhx_A	7	1n49_RIT_B_301 PDB CREDO	0.604	0.175	0.587	0.003
Rv2780_2vhx_A	5	3cs9_NIL_D_600 PDB CREDO	0.693	0.086	0.587	0.003
Rv2780_2vhx_A	7	1n49_RIT_D_401 PDB CREDO	0.620	0.156	0.586	0.003
Rv2780_2vhx_A	7	1hwk_117_C_4 PDB CREDO	0.657	0.118	0.585	0.003
Rv2780_2vhx_A	7	1uwj_BAX_A_1723 PDB CREDO	0.602	0.177	0.585	0.003
Rv2780_2vhx_A	5	2r5q_1UN_D_900 PDB CREDO	0.602	0.176	0.585	0.003
Rv2780_2vhx_A	5	1sa1_POD_B_700 PDB CREDO	0.620	0.156	0.585	0.003
Rv2780_2vhx_A	5	2r5q_1UN_B_900 PDB CREDO	0.602	0.177	0.585	0.003
Rv2780_2vhx_A	5	3ekq_ROC_A_100 PDB CREDO	0.652	0.122	0.583	0.003
Rv2780_2vhx_A	5	3ufn_ROC_A_401 PDB CREDO	0.706	0.076	0.583	0.003
Rv2780_2vhx_A	5	1sgu_MK1_B_2632 PDB CREDO	0.583	0.200	0.583	0.003
Rv2780_2vhx_A	7	1hwl_FBI_B_1 PDB CREDO	0.674	0.102	0.583	0.003
Rv2780_2vhx_A	5	3cs9_NIL_B_600 PDB CREDO	0.651	0.124	0.582	0.003
Rv2780_2vhx_A	5	1uwj_BAX_A_1723 PDB CREDO	0.598	0.181	0.581	0.003
Rv2780_2vhx_A	7	1hwl_FBI_D_3 PDB CREDO	0.672	0.104	0.581	0.003
Rv2780_2vhx_A	5	3spk_TPV_A_100 PDB CREDO	0.793	0.028	0.581	0.003
Rv2780_2vhx_A	5	3k5v_STI_A_2 PDB CREDO	0.614	0.163	0.580	0.003
Rv2780_2vhx_A	5	3oez_STI_B_601 PDB CREDO	0.694	0.086	0.579	0.003
Rv2780_2vhx_A	5	2y6o_1N1_A_1892 PDB CREDO	0.716	0.069	0.579	0.003
Rv2780_2vhx_A	7	1sa1_POD_B_700 PDB CREDO	0.646	0.128	0.576	0.003
Rv2780_2vhx_A	5	3rgf_BAX_A_465 PDB CREDO	0.592	0.189	0.575	0.003
Rv2780_2vhx_A	5	2o4p_TPV_A_300 PDB CREDO	0.592	0.189	0.575	0.003
Rv2780_2vhx_A	7	1hwl_FBI_C_4 PDB CREDO	0.664	0.112	0.574	0.003
Rv2780_2vhx_A	7	1hwl_FBI_A_2 PDB CREDO	0.661	0.114	0.572	0.003
Rv2780_2vhx_A	7	3gp0_NIL_A_1 PDB CREDO	0.654	0.121	0.571	0.004
Rv2780_2vhx_A	5	2b7z_MK1_B_200 PDB CREDO	0.570	0.217	0.570	0.004
Rv2780_2vhx_A	5	1c6y_MK1_B_524 PDB CREDO	0.653	0.122	0.568	0.004
Rv2780_2vhx_A	5	1sa1_POD_D_701 PDB CREDO	0.620	0.156	0.568	0.004
Rv2780_2vhx_A	5	2o4n_TPV_A_300 PDB CREDO	0.637	0.137	0.566	0.004
Rv2780_2vhx_A	7	1c6y_MK1_B_524 PDB CREDO	0.612	0.165	0.563	0.004
Rv2780_2vhx_A	5	1d4y_TPV_A_501 PDB CREDO	0.634	0.141	0.563	0.004
Rv2780_2vhx_A	7	1hwk_117_D_3 PDB CREDO	0.670	0.106	0.562	0.004
Rv2780_2vhx_A	5	1uwj_BAX_B_1723 PDB CREDO	0.594	0.186	0.561	0.004
Rv2780_2vhx_A	5	2z54_AB1_A_200 PDB CREDO	0.576	0.209	0.560	0.004
Rv2780_2vhx_A	5	1hsh_MK1_A_401 PDB CREDO	0.642	0.133	0.559	0.004
Rv2780_2vhx_A	7	4asd_BAX_A_1500 PDB CREDO	0.625	0.150	0.557	0.004
Rv2780_2vhx_A	5	2qhc_AB1_B_9001 PDB CREDO	0.573	0.213	0.557	0.004
Rv2780_2vhx_A	7	1sa1_POD_D_701 PDB CREDO	0.643	0.131	0.556	0.005
Rv2780_2vhx_A	7	1hwi_115_B_1 PDB CREDO	0.703	0.078	0.555	0.005
Rv2780_2vhx_A	7	1hwi_115_D_3 PDB CREDO	0.702	0.079	0.554	0.005
Rv2780_2vhx_A	5	1uwh_BAX_A_1723 PDB CREDO	0.622	0.153	0.553	0.005
Rv2780_2vhx_A	5	2fxd_DR7_A_102 PDB CREDO	0.635	0.139	0.553	0.005
Rv2780_2vhx_A	5	3hec_STI_A_1 PDB CREDO	0.662	0.113	0.552	0.005
Rv2780_2vhx_A	5	3s56_ROC_A_201 PDB CREDO	0.634	0.140	0.552	0.005
Rv2780_2vhx_A	5	1uwh_BAX_B_1723 PDB CREDO	0.621	0.154	0.552	0.005
Rv2780_2vhx_A	5	1hsh_MK1_C_402 PDB CREDO	0.634	0.141	0.552	0.005
Rv2780_2vhx_A	5	3v5w_8PR_A_701 PDB CREDO	0.704	0.077	0.552	0.005
Rv2780_2vhx_A	5	2w8y_486_A_1000 PDB CREDO	0.583	0.201	0.549	0.005
Rv2780_2vhx_A	5	3sm2_478_A_126 PDB CREDO	0.718	0.067	0.549	0.005
Rv2780_2vhx_A	5	3ggu_017_B_201 PDB CREDO	0.682	0.095	0.549	0.005
Rv2780_2vhx_A	5	2qak_1UN_A_1001 PDB CREDO	0.735	0.057	0.548	0.005
Rv2780_2vhx_A	5	1c6z_ROC_B_505 PDB CREDO	0.733	0.058	0.547	0.005
Rv2780_2vhx_A	5	2bpx_MK1_B_902 PDB CREDO	0.578	0.206	0.547	0.005
Rv2780_2vhx_A	7	3gcs_BAX_A_401 PDB CREDO	0.613	0.163	0.547	0.005
Rv2780_2vhx_A	7	3ut5_LOC_B_502 PDB CREDO	0.650	0.124	0.546	0.005
Rv2780_2vhx_A	7	3so9_017_A_100 PDB CREDO	0.650	0.125	0.545	0.005
Rv2780_2vhx_A	5	2q64_1UN_B_1001 PDB CREDO	0.732	0.059	0.545	0.005
Rv2780_2vhx_A	5	1qkn_RAL_A_600 PDB CREDO	0.696	0.084	0.545	0.005
Rv2780_2vhx_A	5	3bbt_FMM_D_91 PDB CREDO	0.770	0.037	0.545	0.005
Rv2780_2vhx_A	7	3el0_1UN_A_201 PDB CREDO	0.545	0.252	0.545	0.005
Rv2780_2vhx_A	5	2pym_1UN_A_1001 PDB CREDO	0.730	0.059	0.544	0.005
Rv2780_2vhx_A	5	3ogq_AB1_A_200 PDB CREDO	0.692	0.087	0.543	0.006
Rv2780_2vhx_A	5	2pyn_1UN_A_1001 PDB CREDO	0.728	0.061	0.543	0.006
Rv2780_2vhx_A	7	3lzv_017_A_200 PDB CREDO	0.542	0.255	0.542	0.006
Rv2780_2vhx_A	7	3ekq_ROC_A_100 PDB CREDO	0.572	0.215	0.541	0.006
Rv2780_2vhx_A	5	2q63_1UN_A_1001 PDB CREDO	0.724	0.064	0.540	0.006
Rv2780_2vhx_A	5	2aoj_FRD_C_305 PDB CREDO	0.553	0.239	0.537	0.006
Rv2780_2vhx_A	5	1sh9_RIT_B_301 PDB CREDO	0.617	0.159	0.537	0.006
Rv2780_2vhx_A	5	3h52_486_A_3 PDB CREDO	0.604	0.174	0.537	0.006
Rv2780_2vhx_A	5	3oy4_017_B_200 PDB CREDO	0.552	0.242	0.536	0.006
Rv2780_2vhx_A	7	3ut5_LOC_D_502 PDB CREDO	0.678	0.099	0.535	0.006
Rv2780_2vhx_A	5	2aoh_FRD_C_305 PDB CREDO	0.584	0.199	0.535	0.006
Rv2780_2vhx_A	7	1uwj_BAX_B_1723 PDB CREDO	0.600	0.179	0.534	0.006
Rv2780_2vhx_A	5	3ebz_017_B_201 PDB CREDO	0.549	0.246	0.533	0.007
Rv2780_2vhx_A	7	2nni_MTK_A_501 PDB CREDO	0.579	0.205	0.532	0.007
Rv2780_2vhx_A	7	2qak_1UN_A_1001 PDB CREDO	0.673	0.103	0.531	0.007
Rv2780_2vhx_A	7	2pyn_1UN_A_1001 PDB CREDO	0.672	0.104	0.530	0.007
Rv2780_2vhx_A	7	2q64_1UN_B_1001 PDB CREDO	0.672	0.104	0.530	0.007
Rv2780_2vhx_A	5	1sdv_MK1_B_902 PDB CREDO	0.625	0.150	0.530	0.007
Rv2780_2vhx_A	7	3el9_DR7_A_100 PDB CREDO	0.575	0.210	0.530	0.007
Rv2780_2vhx_A	7	3sm2_478_A_126 PDB CREDO	0.654	0.121	0.529	0.007
Rv2780_2vhx_A	7	2q63_1UN_A_1001 PDB CREDO	0.670	0.106	0.528	0.007
Rv2780_2vhx_A	5	2fum_MIX_D_3539 PDB CREDO	0.746	0.050	0.528	0.007
Rv2780_2vhx_A	5	1hxw_RIT_B_301 PDB CREDO	0.655	0.120	0.526	0.007
Rv2780_2vhx_A	5	4dqe_017_B_101 PDB CREDO	0.542	0.256	0.526	0.007
Rv2780_2vhx_A	5	1y0x_T44_X_500 PDB CREDO	0.592	0.189	0.525	0.007
Rv2780_2vhx_A	7	2pym_1UN_A_1001 PDB CREDO	0.665	0.110	0.525	0.007
Rv2780_2vhx_A	5	3h52_486_B_1 PDB CREDO	0.573	0.213	0.525	0.007
Rv2780_2vhx_A	7	1hwi_115_A_2 PDB CREDO	0.732	0.058	0.524	0.008
Rv2780_2vhx_A	5	3h52_486_D_2 PDB CREDO	0.590	0.191	0.524	0.008
Rv2780_2vhx_A	5	1jg2_ADN_A_500 PDB CREDO	0.765	0.040	0.523	0.008
Rv2780_2vhx_A	7	2y6o_1N1_A_1892 PDB CREDO	0.684	0.094	0.522	0.008
Rv2780_2vhx_A	5	3em4_DR7_A_100 PDB CREDO	0.600	0.179	0.522	0.008
Rv2780_2vhx_A	5	1rl8_RIT_A_9001 PDB CREDO	0.717	0.068	0.522	0.008
Rv2780_2vhx_A	7	1c6z_ROC_B_505 PDB CREDO	0.661	0.114	0.521	0.008
Rv2780_2vhx_A	7	3ufn_ROC_A_401 PDB CREDO	0.594	0.186	0.519	0.008
Rv2780_2vhx_A	5	1ohr_1UN_A_201 PDB CREDO	0.596	0.184	0.519	0.008
Rv2780_2vhx_A	5	2rkg_AB1_B_501 PDB CREDO	0.583	0.200	0.518	0.008
Rv2780_2vhx_A	7	1t7j_478_A_200 PDB CREDO	0.617	0.159	0.518	0.008
Rv2780_2vhx_A	7	3spk_TPV_A_100 PDB CREDO	0.747	0.049	0.518	0.008
Rv2780_2vhx_A	5	3uvv_T3_A_501 PDB CREDO	0.640	0.134	0.518	0.008
Rv2780_2vhx_A	5	3t3c_017_A_201 PDB CREDO	0.578	0.206	0.517	0.008
Rv2780_2vhx_A	7	3oez_STI_A_601 PDB CREDO	0.547	0.248	0.517	0.008
Rv2780_2vhx_A	7	2qxs_RAL_A_600 PDB CREDO	0.546	0.249	0.517	0.008
Rv2780_2vhx_A	7	2qxs_RAL_B_600 PDB CREDO	0.546	0.249	0.517	0.008
Rv2780_2vhx_A	5	3b0w_DGX_B_1 PDB CREDO	0.547	0.248	0.517	0.008
Rv2780_2vhx_A	5	1xzx_T3_X_500 PDB CREDO	0.638	0.137	0.516	0.009
Rv2780_2vhx_A	5	3tne_RIT_A_401 PDB CREDO	0.618	0.159	0.516	0.009
Rv2780_2vhx_A	7	3hec_STI_A_1 PDB CREDO	0.653	0.121	0.515	0.009
Rv2780_2vhx_A	7	3tne_RIT_A_401 PDB CREDO	0.652	0.122	0.514	0.009
Rv2780_2vhx_A	7	1uwh_BAX_A_1723 PDB CREDO	0.613	0.164	0.514	0.009
Rv2780_2vhx_A	7	3frq_ERY_A_195 PDB CREDO	0.560	0.230	0.514	0.009
Rv2780_2vhx_A	5	1hwk_117_B_1 PDB CREDO	0.514	0.297	0.514	0.009
Rv2780_2vhx_A	5	1mui_AB1_B_100 PDB CREDO	0.579	0.206	0.514	0.009
Rv2780_2vhx_A	7	1uwh_BAX_B_1723 PDB CREDO	0.612	0.165	0.514	0.009
Rv2780_2vhx_A	5	1d4s_TPV_A_201 PDB CREDO	0.699	0.081	0.513	0.009
Rv2780_2vhx_A	7	3e22_LOC_B_700 PDB CREDO	0.650	0.125	0.513	0.009
Rv2780_2vhx_A	5	2nni_MTK_A_501 PDB CREDO	0.527	0.277	0.512	0.009
Rv2780_2vhx_A	5	3nu9_478_A_401 PDB CREDO	0.542	0.255	0.512	0.009
Rv2780_2vhx_A	5	1hpv_478_B_200 PDB CREDO	0.542	0.256	0.512	0.009
Rv2780_2vhx_A	7	3e22_LOC_D_700 PDB CREDO	0.649	0.126	0.512	0.009
Rv2780_2vhx_A	5	1bsx_T3_A_1 PDB CREDO	0.653	0.121	0.511	0.009
Rv2780_2vhx_A	5	1bsx_T3_B_2 PDB CREDO	0.653	0.121	0.511	0.009
Rv2780_2vhx_A	5	3em6_017_A_200 PDB CREDO	0.541	0.257	0.511	0.009
Rv2780_2vhx_A	5	1hxb_ROC_A_100 PDB CREDO	0.685	0.092	0.511	0.009
Rv2780_2vhx_A	7	3heg_BAX_A_1 PDB CREDO	0.588	0.193	0.509	0.009
Rv2780_2vhx_A	5	1hsg_MK1_B_902 PDB CREDO	0.584	0.198	0.508	0.010
Rv2780_2vhx_A	5	3ttp_017_A_201 PDB CREDO	0.538	0.261	0.508	0.010
Rv2780_2vhx_A	5	3gws_T3_X_500 PDB CREDO	0.649	0.126	0.508	0.010
Rv2780_2vhx_A	5	2xkw_P1B_A_1478 PDB CREDO	0.648	0.126	0.508	0.010
Rv2780_2vhx_A	5	3lzs_017_A_200 PDB CREDO	0.537	0.263	0.507	0.010
Rv2780_2vhx_A	5	2nnk_ROC_A_401 PDB CREDO	0.732	0.059	0.507	0.010
Rv2780_2vhx_A	7	3k5v_STI_A_2 PDB CREDO	0.507	0.308	0.507	0.010
Rv2780_2vhx_A	5	3u7s_017_A_202 PDB CREDO	0.625	0.150	0.506	0.010
Rv2780_2vhx_A	5	3erd_DES_B_800 PDB CREDO	0.792	0.028	0.505	0.010
Rv2780_2vhx_A	5	2r5p_MK1_B_902 PDB CREDO	0.627	0.149	0.504	0.010
Rv2780_2vhx_A	5	3ndt_ROC_D_100 PDB CREDO	0.727	0.062	0.503	0.010
Rv2780_2vhx_A	5	3s53_017_A_201 PDB CREDO	0.547	0.248	0.503	0.010
Rv2780_2vhx_A	7	1opj_STI_B_4 PDB CREDO	0.517	0.292	0.503	0.010
Rv2780_2vhx_A	5	2r5p_MK1_D_902 PDB CREDO	0.625	0.150	0.503	0.010
Rv2780_2vhx_A	7	3ogq_AB1_A_200 PDB CREDO	0.606	0.172	0.503	0.010
Rv2780_2vhx_A	7	1hsh_MK1_A_401 PDB CREDO	0.546	0.250	0.503	0.010
Rv2780_2vhx_A	5	3e22_LOC_B_700 PDB CREDO	0.602	0.176	0.503	0.010
Rv2780_2vhx_A	5	3e22_LOC_D_700 PDB CREDO	0.602	0.176	0.503	0.010
Rv2780_2vhx_A	5	3el4_ROC_A_100 PDB CREDO	0.743	0.052	0.503	0.010
Rv2780_2vhx_A	7	1opj_STI_A_3 PDB CREDO	0.516	0.293	0.502	0.011
Rv2780_2vhx_A	5	1k6c_MK1_B_902 PDB CREDO	0.742	0.052	0.502	0.011
Rv2780_2vhx_A	5	3tkd_CYZ_B_267 PDB CREDO	0.565	0.223	0.502	0.011
Rv2780_2vhx_A	5	3oxw_017_B_200 PDB CREDO	0.546	0.250	0.502	0.011
Rv2780_2vhx_A	5	3eky_DR7_A_100 PDB CREDO	0.623	0.153	0.501	0.011
Rv2780_2vhx_A	5	2f80_017_B_301 PDB CREDO	0.671	0.105	0.500	0.011
Rv2780_2vhx_A	5	3oht_1N1_B_1000 PDB CREDO	0.757	0.044	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
NAD+PubChem	0.997	663.425
pyruvic acidPubChem	0.991	88.0621
L-alaninePubChem	0.99	89.0932
reduced nicotinamide adenine dinucleotidePubChem	0.989	665.441
ammoniaPubChem	0.966	17.0305
H(+)PubChem	0.915	2.01588
lactatePubChem	0.915	90.0779
deuteriumPubChem	0.914	2.01588
hydroxyl radicalsPubChem	0.907	17.0073
L-lactatePubChem	0.9	90.0779
magnesiumPubChem	0.9	24.305
dihydronicotinamide formycin dinucleotidePubChem	0.9	665.441
protiumPubChem	0.9	2.01576