SInCRe - Rv3061c

Tuberculist information

Gene name	fadE22
Protein function	Probable acyl-CoA dehydrogenase FadE22
Functional category(tuberculist)	lipid metabolism
Gene location(kb)	3423.26
Molecular mass(da)	76741.1
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 721

	  		  	1    MGIALTDDHRELSGVARAFLTSQKVRWAARASLDAAGDARPPFWQNLAELGWLGLHIDER   60
			  	61   HGGSGYGLSELVVVIEELGRAVAPGLFVPTVIASAVVAKEGTDDQRARLLPALIDGTLTA  120
			  	121  GVGLDSQVQVTDGVADGEAGIVLGAGLAELLLVAAGDDVLVLERGRKGVSVDVPENFDPT  180
			  	181  RRSGRVRLDNVRVTTDDILLGAYESALARARTLLAAEAVGGAADCVDSAVAYAKVRQQFG  240
			  	241  RTIATFQAVKHHCANMLVAAESAIAAVWDAARAAAEDEEQFRLAAAVAAALAFPAYARNA  300
			  	301  ELNIQVHGGIGFTWEHDAHLHLRRALVTVGLFGGDAPVRDVFERTAAGVTRAISLDLPAQ  360
			  	361  AEELRARIRSDAAEIAALEKDAQRDKLIETGYVMPHWPRPWGRAAGAVEQLVIEEEFSAA  420
			  	421  GIERPDYSITGWVILTLIQHGTPWQIERFVEKALRQQEIWCQLFSEPDAGSDAASVKTRA  480
			  	481  TRVEGGWKINGQKVWTSGAQYCARGLATVRTDPDAPKHAGITTVIIDMLAPGVEVRPLRQ  540
			  	541  ITGDSEFNEVFFNDVFVPDEDVVGAPNSGWTVARATLGNERVSIGGSGSYYEAMAAKLVQ  600
			  	601  LVQRRSDAFAGAPIRVGAFLAEDHALRLLNLRRAARSVEGAGPGPEGNITKLKVAEHMIE  660
			  	661  GAAIAAALWGPEIALLDGPGRVIGRTVMGARGMAIAGGTSEVTRNQIAERILGMPRDPLI  720
			  	721  S

Known structures in the PDB

No Known structures

Number of amino acids : 721

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
Acyl-CoA_dh_N	PF02771	6-117
Acyl-CoA_dh_1	PF00441	201-341
Acyl-CoA_dh_N	PF02771	356-457
Acyl-CoA_dh_M	PF02770	461-512
Acyl-CoA_dh_1	PF00441	567-712

Mtb Structural Proteome models

Model Number	1
Model name	Rv3061c.1
Template	1UKW APDB CREDO
Template coverage	32_405
Template Identity(%)	28.2
Model coverage(%)	47.6
Normalized DOPE score	-0.231

Model Number	2
Model name	Rv3061c
Template	3MDD APDB CREDO
Template coverage	13_392
Template Identity(%)	26.7
Model coverage(%)	49.8
Normalized DOPE score	0.315

Model Number	3
Model name	Rv3061c.2
Template	2DDH APDB CREDO
Template coverage	23_459
Template Identity(%)	12.6
Model coverage(%)	51.7
Normalized DOPE score	1.119

Structure Models from Chopin

Model Number	1
Profile	e.6.1.1 Click for model details
zscore	11.74
Residue begin	461
Residue end	512

Model Number	2
Profile	a.29.3.1, e.6.1.1 - 1.10.540.10, 1.20.140.10, 2.40.110.10 Click for model details
zscore	9.46
Residue begin	1
Residue end	112

Model Number	3
Profile	a.29.3.1 Click for model details
zscore	6.33
Residue begin	201
Residue end	341

Model Number	4
Profile	a.29.3.1 Click for model details
zscore	6.33
Residue begin	567
Residue end	707

Model Number	5
Profile	1.10.540.10 Click for model details
zscore	6.27
Residue begin	1
Residue end	112

Binding pockets

STRING

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

Protein interacting with Rv3061c	Gene name	Confidence Score
Rv3516	echA19	0.913
Rv3774	echA21	0.906
Rv0860	fadB	0.901
Rv0860	fadB	0.901
Rv0860	fadB	0.901

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv3061c.1	3	2qxs_RAL_A_600 PDB CREDO	0.746	0.050	0.687	0.000
Rv3061c.1	3	2qxs_RAL_B_600 PDB CREDO	0.742	0.052	0.683	0.000
Rv3061c.1	3	3h52_486_A_3 PDB CREDO	0.741	0.053	0.639	0.001
Rv3061c.2	3	1ya4_CTX_A_1 PDB CREDO	0.660	0.115	0.629	0.001
Rv3061c.2	3	2qxs_RAL_A_600 PDB CREDO	0.830	0.015	0.628	0.001
Rv3061c.2	3	2qxs_RAL_B_600 PDB CREDO	0.829	0.015	0.627	0.001
Rv3061c.2	3	2nnk_ROC_A_401 PDB CREDO	0.634	0.141	0.619	0.001
Rv3061c.2	3	3gp0_NIL_A_1 PDB CREDO	0.752	0.046	0.617	0.002
Rv3061c.1	3	1ya4_CTX_A_1 PDB CREDO	0.844	0.012	0.616	0.002
Rv3061c.1	3	3cs9_NIL_A_600 PDB CREDO	0.652	0.123	0.616	0.002
Rv3061c.2	3	3ndt_ROC_D_100 PDB CREDO	0.631	0.144	0.616	0.002
Rv3061c.1	3	3b0w_DGX_B_1 PDB CREDO	0.631	0.143	0.614	0.002
Rv3061c.2	3	3k4v_ROC_D_201 PDB CREDO	0.628	0.147	0.613	0.002
Rv3061c.1	3	3cs9_NIL_B_600 PDB CREDO	0.659	0.116	0.606	0.002
Rv3061c.1	3	3h52_486_B_1 PDB CREDO	0.679	0.098	0.604	0.002
Rv3061c.2	3	3ucb_017_A_201 PDB CREDO	0.618	0.158	0.604	0.002
Rv3061c.2	3	3ogq_AB1_A_200 PDB CREDO	0.696	0.084	0.601	0.002
Rv3061c.1	3	2w8y_486_A_1000 PDB CREDO	0.655	0.120	0.600	0.002
Rv3061c.2	3	2avv_MK1_A_901 PDB CREDO	0.596	0.184	0.596	0.002
Rv3061c.1	3	2jfa_RAL_B_600 PDB CREDO	0.711	0.073	0.595	0.002
Rv3061c.2	3	3ufn_ROC_A_401 PDB CREDO	0.725	0.063	0.594	0.002
Rv3061c.1	3	1err_RAL_A_600 PDB CREDO	0.710	0.073	0.594	0.002
Rv3061c.2	3	3cs9_NIL_C_600 PDB CREDO	0.744	0.051	0.594	0.002
Rv3061c.2	3	3ndu_ROC_D_100 PDB CREDO	0.634	0.141	0.591	0.002
Rv3061c.2	3	3cs9_NIL_D_600 PDB CREDO	0.741	0.053	0.591	0.002
Rv3061c.1	3	1err_RAL_B_600 PDB CREDO	0.706	0.076	0.591	0.002
Rv3061c.1	3	3h52_486_D_2 PDB CREDO	0.684	0.094	0.590	0.003
Rv3061c.2	3	2avv_MK1_E_902 PDB CREDO	0.590	0.192	0.590	0.003
Rv3061c.2	3	2q64_1UN_B_1001 PDB CREDO	0.649	0.125	0.589	0.003
Rv3061c.2	3	2pym_1UN_A_1001 PDB CREDO	0.648	0.126	0.589	0.003
Rv3061c.2	3	3el4_ROC_A_100 PDB CREDO	0.588	0.194	0.588	0.003
Rv3061c.2	3	2qak_1UN_A_1001 PDB CREDO	0.647	0.128	0.587	0.003
Rv3061c.1	3	3ufn_ROC_A_401 PDB CREDO	0.691	0.088	0.587	0.003
Rv3061c.2	3	2pyn_1UN_A_1001 PDB CREDO	0.646	0.128	0.587	0.003
Rv3061c.1	3	1n49_RIT_D_401 PDB CREDO	0.602	0.176	0.586	0.003
Rv3061c.2	3	2q63_1UN_A_1001 PDB CREDO	0.642	0.133	0.582	0.003
Rv3061c.1	3	1y0x_T44_X_500 PDB CREDO	0.674	0.102	0.581	0.003
Rv3061c.2	3	2f80_017_B_301 PDB CREDO	0.639	0.135	0.580	0.003
Rv3061c.2	3	1k6c_MK1_B_902 PDB CREDO	0.579	0.205	0.579	0.003
Rv3061c.2	3	1xkk_FMM_A_91 PDB CREDO	0.688	0.090	0.579	0.003
Rv3061c.2	3	1rl8_RIT_A_9001 PDB CREDO	0.622	0.154	0.578	0.003
Rv3061c.2	3	2nmy_ROC_A_401 PDB CREDO	0.633	0.141	0.577	0.003
Rv3061c.2	3	1t7i_017_A_200 PDB CREDO	0.577	0.207	0.577	0.003
Rv3061c.2	3	3cs9_NIL_B_600 PDB CREDO	0.762	0.041	0.577	0.003
Rv3061c.2	3	2xkw_P1B_A_1478 PDB CREDO	0.666	0.110	0.575	0.003
Rv3061c.1	3	3heg_BAX_A_1 PDB CREDO	0.645	0.130	0.573	0.003
Rv3061c.2	3	3pwr_ROC_A_401 PDB CREDO	0.600	0.179	0.572	0.003
Rv3061c.1	3	2hw2_RFP_A_1200 PDB CREDO	0.705	0.077	0.572	0.003
Rv3061c.1	3	3el0_1UN_A_201 PDB CREDO	0.588	0.194	0.572	0.003
Rv3061c.1	3	1skx_RFP_A_1 PDB CREDO	0.621	0.155	0.571	0.004
Rv3061c.1	3	2aoj_FRD_C_305 PDB CREDO	0.603	0.176	0.569	0.004
Rv3061c.2	3	3oxc_ROC_A_401 PDB CREDO	0.681	0.096	0.568	0.004
Rv3061c.2	3	3bvb_017_B_401 PDB CREDO	0.596	0.184	0.568	0.004
Rv3061c.2	3	3cs9_NIL_A_600 PDB CREDO	0.772	0.037	0.568	0.004
Rv3061c.2	3	3sm2_478_A_126 PDB CREDO	0.641	0.133	0.568	0.004
Rv3061c.1	3	3cs9_NIL_C_600 PDB CREDO	0.649	0.125	0.566	0.004
Rv3061c.1	3	3gp0_NIL_A_1 PDB CREDO	0.664	0.111	0.564	0.004
Rv3061c.2	3	3d1y_ROC_A_201 PDB CREDO	0.606	0.172	0.564	0.004
Rv3061c.2	3	1c6z_ROC_B_505 PDB CREDO	0.621	0.155	0.564	0.004
Rv3061c.2	3	1hxb_ROC_A_100 PDB CREDO	0.621	0.155	0.564	0.004
Rv3061c.2	3	2nnp_ROC_A_401 PDB CREDO	0.564	0.225	0.564	0.004
Rv3061c.1	3	3cs9_NIL_D_600 PDB CREDO	0.645	0.129	0.563	0.004
Rv3061c.2	3	3cyx_ROC_A_201 PDB CREDO	0.603	0.176	0.562	0.004
Rv3061c.2	3	1sdt_MK1_B_902 PDB CREDO	0.589	0.192	0.562	0.004
Rv3061c.2	3	3tkg_ROC_C_901 PDB CREDO	0.588	0.193	0.561	0.004
Rv3061c.1	3	3vn2_TLS_A_501 PDB CREDO	0.670	0.106	0.561	0.004
Rv3061c.2	3	3oxx_DR7_C_100 PDB CREDO	0.600	0.178	0.559	0.004
Rv3061c.2	3	2o4k_DR7_A_301 PDB CREDO	0.585	0.198	0.558	0.004
Rv3061c.1	3	3lzv_017_A_200 PDB CREDO	0.572	0.214	0.556	0.005
Rv3061c.1	3	1xzx_T3_X_500 PDB CREDO	0.707	0.075	0.556	0.005
Rv3061c.1	3	3uvv_T3_A_501 PDB CREDO	0.707	0.075	0.556	0.005
Rv3061c.2	3	1t46_STI_A_3 PDB CREDO	0.695	0.084	0.555	0.005
Rv3061c.1	3	3kk6_CEL_B_1701 PDB CREDO	0.603	0.175	0.555	0.005
Rv3061c.1	3	3ogp_017_B_200 PDB CREDO	0.570	0.217	0.554	0.005
Rv3061c.1	3	1fm6_BRL_X_504 PDB CREDO	0.705	0.077	0.554	0.005
Rv3061c.1	3	2oax_SNL_F_6001 PDB CREDO	0.621	0.154	0.553	0.005
Rv3061c.1	3	1n49_RIT_B_301 PDB CREDO	0.584	0.198	0.553	0.005
Rv3061c.1	3	2aoh_FRD_C_305 PDB CREDO	0.620	0.156	0.552	0.005
Rv3061c.1	3	1opj_STI_A_3 PDB CREDO	0.583	0.200	0.551	0.005
Rv3061c.1	3	1a28_STR_B_2 PDB CREDO	0.701	0.080	0.551	0.005
Rv3061c.1	3	2oax_SNL_D_4001 PDB CREDO	0.620	0.156	0.551	0.005
Rv3061c.2	3	2aqu_DR7_B_300 PDB CREDO	0.622	0.153	0.551	0.005
Rv3061c.1	3	2oax_SNL_E_5001 PDB CREDO	0.619	0.157	0.551	0.005
Rv3061c.1	3	1opj_STI_B_4 PDB CREDO	0.581	0.202	0.550	0.005
Rv3061c.1	3	2oax_SNL_A_1001 PDB CREDO	0.617	0.159	0.549	0.005
Rv3061c.1	3	2jfa_RAL_A_600 PDB CREDO	0.676	0.100	0.548	0.005
Rv3061c.1	3	3gcs_BAX_A_401 PDB CREDO	0.598	0.181	0.548	0.005
Rv3061c.2	3	3oxx_DR7_A_100 PDB CREDO	0.619	0.157	0.548	0.005
Rv3061c.1	3	3s56_ROC_A_201 PDB CREDO	0.610	0.167	0.546	0.005
Rv3061c.1	3	1bsx_T3_A_1 PDB CREDO	0.718	0.068	0.546	0.005
Rv3061c.1	3	1bsx_T3_B_2 PDB CREDO	0.718	0.068	0.546	0.005
Rv3061c.1	3	3b0w_DGX_A_1 PDB CREDO	0.594	0.187	0.544	0.006
Rv3061c.2	3	1opj_STI_B_4 PDB CREDO	0.739	0.054	0.544	0.006
Rv3061c.1	3	2oiq_STI_A_1001 PDB CREDO	0.610	0.167	0.543	0.006
Rv3061c.2	3	1hxw_RIT_B_301 PDB CREDO	0.645	0.129	0.543	0.006
Rv3061c.1	3	3oez_STI_A_601 PDB CREDO	0.558	0.233	0.542	0.006
Rv3061c.1	3	3gws_T3_X_500 PDB CREDO	0.710	0.073	0.540	0.006
Rv3061c.2	3	3k4v_ROC_B_201 PDB CREDO	0.689	0.089	0.540	0.006
Rv3061c.2	3	1hsh_MK1_A_401 PDB CREDO	0.694	0.086	0.539	0.006
Rv3061c.2	3	3s56_ROC_A_201 PDB CREDO	0.693	0.086	0.539	0.006
Rv3061c.2	3	2hs2_017_A_201 PDB CREDO	0.552	0.242	0.539	0.006
Rv3061c.1	3	2o4p_TPV_A_300 PDB CREDO	0.570	0.217	0.538	0.006
Rv3061c.2	3	1opj_STI_A_3 PDB CREDO	0.731	0.059	0.538	0.006
Rv3061c.2	3	3d1z_017_B_201 PDB CREDO	0.550	0.244	0.537	0.006
Rv3061c.1	3	3spk_TPV_B_100 PDB CREDO	0.569	0.219	0.537	0.006
Rv3061c.2	3	3ndt_ROC_A_101 PDB CREDO	0.699	0.082	0.536	0.006
Rv3061c.2	3	3em4_DR7_V_100 PDB CREDO	0.635	0.140	0.534	0.006
Rv3061c.1	3	2pl0_STI_A_200 PDB CREDO	0.600	0.179	0.534	0.007
Rv3061c.1	3	1uwj_BAX_A_1723 PDB CREDO	0.533	0.268	0.533	0.007
Rv3061c.2	3	2fxe_DR7_A_102 PDB CREDO	0.634	0.141	0.533	0.007
Rv3061c.2	3	1n49_RIT_B_301 PDB CREDO	0.724	0.064	0.533	0.007
Rv3061c.1	3	2xkw_P1B_A_1478 PDB CREDO	0.660	0.114	0.533	0.007
Rv3061c.1	3	3sm2_478_A_126 PDB CREDO	0.677	0.099	0.533	0.007
Rv3061c.2	3	3eky_DR7_A_100 PDB CREDO	0.633	0.142	0.532	0.007
Rv3061c.2	3	2r5p_MK1_D_902 PDB CREDO	0.633	0.142	0.532	0.007
Rv3061c.2	3	2r5p_MK1_B_902 PDB CREDO	0.632	0.142	0.532	0.007
Rv3061c.2	3	3ndw_RIT_A_100 PDB CREDO	0.571	0.216	0.531	0.007
Rv3061c.1	3	3ogp_017_A_200 PDB CREDO	0.596	0.184	0.530	0.007
Rv3061c.1	3	1zgy_BRL_A_503 PDB CREDO	0.744	0.051	0.530	0.007
Rv3061c.2	3	3tkg_ROC_B_801 PDB CREDO	0.662	0.113	0.529	0.007
Rv3061c.2	3	2ieo_017_A_402 PDB CREDO	0.541	0.256	0.529	0.007
Rv3061c.1	3	1qkn_RAL_A_600 PDB CREDO	0.695	0.085	0.529	0.007
Rv3061c.1	3	4asd_BAX_A_1500 PDB CREDO	0.577	0.208	0.529	0.007
Rv3061c.2	3	3ndx_RIT_A_100 PDB CREDO	0.528	0.276	0.528	0.007
Rv3061c.1	3	3k5v_STI_A_2 PDB CREDO	0.542	0.255	0.527	0.007
Rv3061c.2	3	2avo_MK1_B_902 PDB CREDO	0.580	0.204	0.526	0.007
Rv3061c.2	3	3jw2_017_A_401 PDB CREDO	0.538	0.260	0.526	0.007
Rv3061c.1	3	3pyy_STI_B_4 PDB CREDO	0.540	0.258	0.525	0.007
Rv3061c.1	3	2hyy_STI_A_600 PDB CREDO	0.540	0.258	0.525	0.007
Rv3061c.1	3	3mss_STI_B_1 PDB CREDO	0.540	0.259	0.524	0.008
Rv3061c.1	3	2hyy_STI_D_600 PDB CREDO	0.539	0.259	0.524	0.008
Rv3061c.1	3	3mss_STI_D_1 PDB CREDO	0.539	0.259	0.524	0.008
Rv3061c.1	3	1iep_STI_A_201 PDB CREDO	0.539	0.260	0.524	0.008
Rv3061c.1	3	1iep_STI_B_202 PDB CREDO	0.538	0.261	0.523	0.008
Rv3061c.1	3	2hyy_STI_C_600 PDB CREDO	0.538	0.261	0.523	0.008
Rv3061c.1	3	3ms9_STI_B_1 PDB CREDO	0.538	0.261	0.523	0.008
Rv3061c.1	3	3pyy_STI_A_3 PDB CREDO	0.538	0.261	0.523	0.008
Rv3061c.2	3	3el0_1UN_A_201 PDB CREDO	0.730	0.059	0.523	0.008
Rv3061c.1	3	1xkk_FMM_A_91 PDB CREDO	0.632	0.143	0.523	0.008
Rv3061c.1	3	3mss_STI_C_1 PDB CREDO	0.537	0.262	0.522	0.008
Rv3061c.1	3	3h0a_9RA_A_500 PDB CREDO	0.758	0.043	0.522	0.008
Rv3061c.2	3	3tl9_ROC_A_401 PDB CREDO	0.599	0.181	0.522	0.008
Rv3061c.1	3	3k5v_STI_B_2 PDB CREDO	0.537	0.263	0.522	0.008
Rv3061c.1	3	3mss_STI_A_1 PDB CREDO	0.537	0.263	0.522	0.008
Rv3061c.1	3	3ms9_STI_A_1 PDB CREDO	0.535	0.265	0.520	0.008
Rv3061c.1	3	3gvu_STI_A_1001 PDB CREDO	0.535	0.266	0.520	0.008
Rv3061c.2	3	3ekw_DR7_B_100 PDB CREDO	0.602	0.177	0.519	0.008
Rv3061c.2	3	3ekx_1UN_B_201 PDB CREDO	0.602	0.177	0.519	0.008
Rv3061c.2	3	2fxd_DR7_A_102 PDB CREDO	0.667	0.108	0.519	0.008
Rv3061c.1	3	3rgf_BAX_A_465 PDB CREDO	0.518	0.291	0.518	0.008
Rv3061c.1	3	2h77_T3_A_1 PDB CREDO	0.726	0.062	0.517	0.008
Rv3061c.2	3	2avs_MK1_B_902 PDB CREDO	0.570	0.217	0.517	0.008
Rv3061c.1	3	3mno_DEX_A_784 PDB CREDO	0.617	0.159	0.516	0.009
Rv3061c.2	3	3lzv_017_A_200 PDB CREDO	0.721	0.066	0.516	0.009
Rv3061c.1	3	2h79_T3_A_1 PDB CREDO	0.701	0.080	0.516	0.009
Rv3061c.1	3	3mnp_DEX_A_784 PDB CREDO	0.616	0.160	0.516	0.009
Rv3061c.1	10	1kij_NOV_A_400 PDB CREDO	0.627	0.148	0.516	0.009
Rv3061c.1	3	1nhz_486_A_800 PDB CREDO	0.724	0.064	0.515	0.009
Rv3061c.2	3	3k5v_STI_A_2 PDB CREDO	0.718	0.068	0.514	0.009
Rv3061c.1	3	3ln1_CEL_C_682 PDB CREDO	0.675	0.101	0.513	0.009
Rv3061c.2	3	1hsh_MK1_C_402 PDB CREDO	0.661	0.114	0.513	0.009
Rv3061c.2	3	1sdu_MK1_B_902 PDB CREDO	0.595	0.185	0.513	0.009
Rv3061c.2	3	3oez_STI_A_601 PDB CREDO	0.759	0.043	0.513	0.009
Rv3061c.2	3	1err_RAL_B_600 PDB CREDO	0.880	0.005	0.513	0.009
Rv3061c.2	3	3d20_017_A_201 PDB CREDO	0.537	0.262	0.513	0.009
Rv3061c.1	3	3ln1_CEL_B_682 PDB CREDO	0.674	0.102	0.513	0.009
Rv3061c.2	3	1c6y_MK1_B_524 PDB CREDO	0.659	0.115	0.513	0.009
Rv3061c.1	3	3ln1_CEL_A_682 PDB CREDO	0.673	0.103	0.512	0.009
Rv3061c.2	3	1err_RAL_A_600 PDB CREDO	0.879	0.005	0.512	0.009
Rv3061c.2	3	2jfa_RAL_B_600 PDB CREDO	0.878	0.005	0.512	0.009
Rv3061c.1	10	3oez_STI_B_601 PDB CREDO	0.527	0.277	0.511	0.009
Rv3061c.2	3	1n49_RIT_D_401 PDB CREDO	0.755	0.045	0.511	0.009
Rv3061c.1	3	2r5q_1UN_D_900 PDB CREDO	0.541	0.257	0.511	0.009
Rv3061c.2	3	3el1_DR7_A_100 PDB CREDO	0.591	0.189	0.510	0.009
Rv3061c.1	3	1s9p_DES_D_600 PDB CREDO	0.794	0.027	0.510	0.009
Rv3061c.2	3	1sh9_RIT_B_301 PDB CREDO	0.656	0.118	0.510	0.009
Rv3061c.1	3	2r5q_1UN_B_900 PDB CREDO	0.540	0.258	0.510	0.009
Rv3061c.2	3	3el9_DR7_A_100 PDB CREDO	0.655	0.119	0.510	0.009
Rv3061c.2	13	3g0e_B49_A_9000 PDB CREDO	0.529	0.274	0.508	0.010
Rv3061c.1	3	3erd_DES_B_800 PDB CREDO	0.819	0.018	0.507	0.010
Rv3061c.1	3	1t46_STI_A_3 PDB CREDO	0.582	0.201	0.507	0.010
Rv3061c.1	3	3ogq_AB1_A_200 PDB CREDO	0.629	0.146	0.507	0.010
Rv3061c.2	3	3cyw_017_A_201 PDB CREDO	0.505	0.310	0.505	0.010
Rv3061c.1	10	3hec_STI_A_1 PDB CREDO	0.521	0.286	0.505	0.010
Rv3061c.2	3	3d1x_ROC_A_201 PDB CREDO	0.605	0.173	0.505	0.010
Rv3061c.1	3	1sa1_POD_B_700 PDB CREDO	0.550	0.245	0.504	0.010
Rv3061c.1	3	1uwj_BAX_B_1723 PDB CREDO	0.548	0.246	0.503	0.010
Rv3061c.1	3	3vhu_SNL_A_1001 PDB CREDO	0.620	0.156	0.503	0.010
Rv3061c.2	3	3s43_478_A_401 PDB CREDO	0.540	0.258	0.503	0.010
Rv3061c.2	3	3rgf_BAX_A_465 PDB CREDO	0.722	0.065	0.502	0.011
Rv3061c.1	3	2oax_SNL_B_2001 PDB CREDO	0.619	0.157	0.502	0.011
Rv3061c.2	13	1wu8_ADN_A_500 PDB CREDO	0.567	0.220	0.502	0.011
Rv3061c.2	3	1sdv_MK1_B_902 PDB CREDO	0.628	0.147	0.502	0.011
Rv3061c.1	3	2q64_1UN_B_1001 PDB CREDO	0.654	0.121	0.502	0.011
Rv3061c.2	3	1ohr_1UN_A_201 PDB CREDO	0.645	0.129	0.501	0.011
Rv3061c.1	3	1s9p_DES_A_459 PDB CREDO	0.780	0.033	0.501	0.011
Rv3061c.2	3	1t3r_017_A_1200 PDB CREDO	0.525	0.279	0.501	0.011
Rv3061c.2	3	3nuj_478_B_401 PDB CREDO	0.551	0.242	0.500	0.011
Rv3061c.1	10	2hyy_STI_B_600 PDB CREDO	0.532	0.270	0.500	0.011
Rv3061c.1	3	2o4n_TPV_A_300 PDB CREDO	0.579	0.204	0.500	0.011
Rv3061c.1	3	3erd_DES_A_600 PDB CREDO	0.807	0.022	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
pyrophosphatePubChem	0.9	177.975
adenosine triphosphatePubChem	0.9	507.181
NSC112207PubChem	0.9	785.55
coenzyme APubChem	0.9	767.534
H(+)PubChem	0.9	2.01588
1,5-dihydro-FADPubChem	0.9	787.566
FADH2PubChem	0.9	787.566
hydroxyl radicalsPubChem	0.9	17.0073
adenosine monophosphatePubChem	0.9	347.221
formatePubChem	0.9	45.0174
AR-1A9122PubChem	0.9	787.566
flavin adenine dinucleotidePubChem	0.9	785.55
Co-APubChem	0.9	767.534
deuteriumPubChem	0.9	2.01588
protiumPubChem	0.9	2.01576