SInCRe - Rv3846

Tuberculist information

Gene name	sodA
Protein function	Superoxide dismutase [FE] SodA
Functional category(tuberculist)	virulence,detoxification and adaptaion
Gene location(kb)	4320.7
Molecular mass(da)	23001.9
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 207

	  		  	1    VAEYTLPDLDWDYGALEPHISGQINELHHSKHHATYVKGANDAVAKLEEARAKEDHSAIL   60
			  	61   LNEKNLAFNLAGHVNHTIWWKNLSPNGGDKPTGELAAAIADAFGSFDKFRAQFHAAATTV  120
			  	121  QGSGWAALGWDTLGNKLLIFQVYDHQTNFPLGIVPLLLLDMWEHAFYLQYKNVKVDFAKA  180
			  	181  FWNVVNWADVQSRYAAATSQTKGLIFG

Known structures in the PDB

	PDB ID	1GN2
	Total residue count	1656
	Number of chains	8
	Method	X-RAY
	Resolution	3.4

	PDB ID	1GN3
	Total residue count	414
	Number of chains	2
	Method	X-RAY
	Resolution	4

	PDB ID	1GN4
	Total residue count	828
	Number of chains	4
	Method	X-RAY
	Resolution	2.5

	PDB ID	1GN6
	Total residue count	828
	Number of chains	4
	Method	X-RAY
	Resolution	2.9

	PDB ID	1IDS
	Total residue count	828
	Number of chains	4
	Method	X-RAY
	Resolution	2

Number of amino acids : 207

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
Sod_Fe_N	PF00081	3-84
Sod_Fe_C	PF02777	89-194

Mtb Structural Proteome models

Model Number	1
Model name	Rv3846_1ids_A
Template	1IDS APDB CREDO
Template coverage	2_199
Template Identity(%)	100.0
Model coverage(%)	95.2
Normalized DOPE score	-1.613

Model Number	2
Model name	Rv3846
Template	1IDS APDB CREDO
Template coverage	2_199
Template Identity(%)	100.0
Model coverage(%)	95.2
Normalized DOPE score	-1.434

Structure Models from Chopin

Model Number	1
Profile	d.44.1.1 Click for model details
zscore	25.75
Residue begin	17
Residue end	207

Model Number	2
Profile	1.10.287.990 Click for model details
zscore	12.63
Residue begin	21
Residue end	84

Model Number	3
Profile	a.2.11.1 Click for model details
zscore	11.42
Residue begin	1
Residue end	98

Binding pockets

STRING

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

Protein interacting with Rv3846	Gene name	Confidence Score
Rv2428	ahpC	0.998
Rv1908c	katG	0.996
Rv3240c	secA1	0.991
Rv3240c	secA1	0.991
Rv3240c	secA1	0.991
Rv1098c	fum	0.989
Rv1098c	fum	0.989
Rv1821	secA2	0.979
Rv1821	secA2	0.979
Rv1821	secA2	0.979
Rv0732	secY	0.978
Rv0440	groEL2	0.974
Rv0667	rpoB	0.965
Rv0667	rpoB	0.965
Rv0667	rpoB	0.965
Rv0667	rpoB	0.965
Rv0667	rpoB	0.965
Rv0667	rpoB	0.965
Rv0432	sodC	0.964
Rv1437	pgk	0.956
Rv1438	tpi	0.951
Rv1440	secG	0.948
Rv1436	gap	0.941
Rv1436	gap	0.941
Rv0350	dnaK	0.934
Rv0946c	pgi	0.932
Rv1023	eno	0.932
Rv1023	eno	0.932
Rv0384c	clpB	0.929
Rv0384c	clpB	0.929
Rv0384c	clpB	0.929
Rv0384c	clpB	0.929
Rv2586c	secF	0.927
Rv2586c	secF	0.927
Rv3914	trxC	0.927
Rv2782c	pepR	0.924
Rv2782c	pepR	0.924
Rv0005	gyrB	0.923
Rv0005	gyrB	0.923
Rv0005	gyrB	0.923
Rv0005	gyrB	0.923
Rv1876	bfrA	0.921
Rv3841	bfrB	0.92
Rv2587c	secD	0.92
Rv2587c	secD	0.92
Rv0137c	msrA	0.915
Rv3610c	ftsH	0.914
Rv3417c	groEL1	0.914
Rv3610c	ftsH	0.914
Rv3610c	ftsH	0.914
Rv1248c	Rv1248c	0.912
Rv1248c	Rv1248c	0.912
Rv1248c	Rv1248c	0.912
Rv1420	uvrC	0.91
Rv1420	uvrC	0.91
Rv1420	uvrC	0.91
Rv1420	uvrC	0.91
Rv1656	argF	0.909
Rv1656	argF	0.909
Rv2299c	htpG	0.906
Rv2299c	htpG	0.906
Rv0638	secE1	0.905

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv3846_1ids_A	2	3bbt_FMM_D_91 PDB CREDO	0.640	0.134	0.618	0.001
Rv3846_1ids_A	2	1zgy_BRL_A_503 PDB CREDO	0.652	0.122	0.609	0.002
Rv3846_1ids_A	10	1gse_EAA_B_224 PDB CREDO	0.640	0.135	0.609	0.002
Rv3846_1ids_A	10	3jwq_VIA_C_901 PDB CREDO	0.640	0.135	0.609	0.002
Rv3846_1ids_A	10	1gse_EAA_A_224 PDB CREDO	0.638	0.136	0.607	0.002
Rv3846_1ids_A	2	2h42_VIA_A_901 PDB CREDO	0.627	0.148	0.606	0.002
Rv3846_1ids_A	2	2xkw_P1B_B_1475 PDB CREDO	0.648	0.126	0.604	0.002
Rv3846_1ids_A	2	3jwq_VIA_D_901 PDB CREDO	0.624	0.151	0.603	0.002
Rv3846_1ids_A	2	1s9p_DES_A_459 PDB CREDO	0.617	0.160	0.595	0.002
Rv3846_1ids_A	10	1tbf_VIA_A_501 PDB CREDO	0.687	0.091	0.595	0.002
Rv3846_1ids_A	2	2prg_BRL_A_1 PDB CREDO	0.614	0.163	0.593	0.002
Rv3846_1ids_A	10	2bdm_TMI_A_502 PDB CREDO	0.593	0.188	0.593	0.002
Rv3846_1ids_A	10	3n8y_DIF_B_585 PDB CREDO	0.652	0.122	0.592	0.002
Rv3846_1ids_A	10	3vkx_T3_A_301 PDB CREDO	0.622	0.154	0.592	0.002
Rv3846_1ids_A	2	1fm6_BRL_D_503 PDB CREDO	0.612	0.165	0.591	0.002
Rv3846_1ids_A	2	3rif_IVM_A_403 PDB CREDO	0.634	0.140	0.591	0.002
Rv3846_1ids_A	2	1mx1_THA_C_3 PDB CREDO	0.612	0.165	0.590	0.003
Rv3846_1ids_A	2	3h0a_9RA_A_500 PDB CREDO	0.609	0.169	0.588	0.003
Rv3846_1ids_A	2	1jg2_ADN_A_500 PDB CREDO	0.587	0.194	0.587	0.003
Rv3846_1ids_A	2	1ya3_STR_A_1001 PDB CREDO	0.587	0.194	0.587	0.003
Rv3846_1ids_A	2	3rif_IVM_A_402 PDB CREDO	0.630	0.145	0.587	0.003
Rv3846_1ids_A	2	3ria_IVM_C_349 PDB CREDO	0.627	0.149	0.584	0.003
Rv3846_1ids_A	2	3rif_IVM_D_402 PDB CREDO	0.627	0.149	0.584	0.003
Rv3846_1ids_A	10	3b2r_VDN_B_1 PDB CREDO	0.702	0.079	0.582	0.003
Rv3846_1ids_A	2	3ri5_IVM_C_350 PDB CREDO	0.623	0.152	0.581	0.003
Rv3846_1ids_A	2	3rif_IVM_B_403 PDB CREDO	0.623	0.152	0.581	0.003
Rv3846_1ids_A	2	1p93_DEX_B_2999 PDB CREDO	0.601	0.178	0.580	0.003
Rv3846_1ids_A	2	1ya3_STR_B_2001 PDB CREDO	0.580	0.204	0.580	0.003
Rv3846_1ids_A	2	3qt0_486_A_4 PDB CREDO	0.600	0.180	0.579	0.003
Rv3846_1ids_A	2	2h42_VIA_C_903 PDB CREDO	0.618	0.158	0.576	0.003
Rv3846_1ids_A	2	1p93_DEX_A_1999 PDB CREDO	0.596	0.184	0.576	0.003
Rv3846_1ids_A	2	1nhz_486_A_800 PDB CREDO	0.615	0.162	0.574	0.003
Rv3846_1ids_A	10	1xoz_CIA_A_501 PDB CREDO	0.662	0.113	0.574	0.003
Rv3846_1ids_A	10	3b2r_VDN_A_1 PDB CREDO	0.693	0.086	0.574	0.003
Rv3846_1ids_A	2	3oht_1N1_B_1000 PDB CREDO	0.591	0.190	0.570	0.004
Rv3846_1ids_A	2	3h52_486_C_4 PDB CREDO	0.612	0.165	0.570	0.004
Rv3846_1ids_A	10	1qhs_CLM_A_999 PDB CREDO	0.570	0.217	0.570	0.004
Rv3846_1ids_A	2	2prg_BRL_B_2 PDB CREDO	0.588	0.194	0.567	0.004
Rv3846_1ids_A	10	3jwq_VIA_A_901 PDB CREDO	0.628	0.148	0.567	0.004
Rv3846_1ids_A	10	3pgh_FLP_C_701 PDB CREDO	0.654	0.121	0.567	0.004
Rv3846_1ids_A	2	2q1v_PDN_A_248 PDB CREDO	0.566	0.222	0.566	0.004
Rv3846_1ids_A	2	3spk_TPV_A_100 PDB CREDO	0.606	0.172	0.566	0.004
Rv3846_1ids_A	2	1s9p_DES_D_600 PDB CREDO	0.581	0.203	0.561	0.004
Rv3846_1ids_A	2	3erd_DES_B_800 PDB CREDO	0.602	0.177	0.561	0.004
Rv3846_1ids_A	2	3bbt_FMM_B_91 PDB CREDO	0.672	0.104	0.560	0.004
Rv3846_1ids_A	2	3e22_LOC_D_700 PDB CREDO	0.683	0.094	0.560	0.004
Rv3846_1ids_A	2	3jwq_VIA_B_901 PDB CREDO	0.601	0.178	0.560	0.004
Rv3846_1ids_A	2	1fm6_BRL_X_504 PDB CREDO	0.659	0.116	0.558	0.004
Rv3846_1ids_A	2	3e22_LOC_B_700 PDB CREDO	0.680	0.097	0.558	0.004
Rv3846_1ids_A	2	3adx_IMN_B_3 PDB CREDO	0.752	0.047	0.557	0.004
Rv3846_1ids_A	10	3n8w_FLP_A_701 PDB CREDO	0.556	0.236	0.556	0.005
Rv3846_1ids_A	2	1a28_STR_A_1 PDB CREDO	0.575	0.210	0.555	0.005
Rv3846_1ids_A	2	3oct_1N1_A_663 PDB CREDO	0.554	0.238	0.554	0.005
Rv3846_1ids_A	2	1sqn_NDR_A_1001 PDB CREDO	0.573	0.212	0.554	0.005
Rv3846_1ids_A	2	3erd_DES_A_600 PDB CREDO	0.592	0.188	0.552	0.005
Rv3846_1ids_A	2	3ut5_LOC_D_502 PDB CREDO	0.672	0.104	0.551	0.005
Rv3846_1ids_A	2	1jg3_ADN_A_500 PDB CREDO	0.613	0.164	0.551	0.005
Rv3846_1ids_A	2	2xpv_MIY_A_1209 PDB CREDO	0.570	0.217	0.550	0.005
Rv3846_1ids_A	10	1ikv_EFZ_A_2000 PDB CREDO	0.607	0.170	0.549	0.005
Rv3846_1ids_A	10	3lp0_NVP_A_701 PDB CREDO	0.755	0.045	0.549	0.005
Rv3846_1ids_A	2	1sqn_NDR_B_2001 PDB CREDO	0.568	0.219	0.549	0.005
Rv3846_1ids_A	10	1xp0_VDN_A_201 PDB CREDO	0.723	0.064	0.549	0.005
Rv3846_1ids_A	10	3lp1_NVP_A_701 PDB CREDO	0.754	0.046	0.548	0.005
Rv3846_1ids_A	10	3rem_SAL_B_301 PDB CREDO	0.576	0.209	0.548	0.005
Rv3846_1ids_A	2	1p93_DEX_C_3999 PDB CREDO	0.626	0.149	0.547	0.005
Rv3846_1ids_A	2	1bsx_T3_A_1 PDB CREDO	0.626	0.150	0.547	0.005
Rv3846_1ids_A	2	1p93_DEX_D_4999 PDB CREDO	0.626	0.150	0.547	0.005
Rv3846_1ids_A	2	3ria_IVM_E_349 PDB CREDO	0.655	0.119	0.546	0.005
Rv3846_1ids_A	2	1bsx_T3_B_2 PDB CREDO	0.625	0.150	0.546	0.005
Rv3846_1ids_A	2	1m2z_DEX_D_401 PDB CREDO	0.624	0.151	0.546	0.005
Rv3846_1ids_A	2	3gws_T3_X_500 PDB CREDO	0.624	0.151	0.546	0.005
Rv3846_1ids_A	10	3pgh_FLP_A_701 PDB CREDO	0.629	0.146	0.545	0.005
Rv3846_1ids_A	2	3mne_DEX_A_784 PDB CREDO	0.624	0.152	0.545	0.005
Rv3846_1ids_A	2	3h52_486_D_2 PDB CREDO	0.707	0.075	0.545	0.005
Rv3846_1ids_A	2	3rhw_IVM_A_348 PDB CREDO	0.653	0.121	0.544	0.005
Rv3846_1ids_A	2	3ri5_IVM_A_349 PDB CREDO	0.653	0.121	0.544	0.005
Rv3846_1ids_A	10	1jlb_NVP_A_999 PDB CREDO	0.657	0.117	0.544	0.005
Rv3846_1ids_A	2	2aa6_STR_A_401 PDB CREDO	0.602	0.177	0.544	0.006
Rv3846_1ids_A	2	1sa1_POD_D_701 PDB CREDO	0.727	0.062	0.543	0.006
Rv3846_1ids_A	2	2hw2_RFP_A_1200 PDB CREDO	0.662	0.113	0.543	0.006
Rv3846_1ids_A	2	3gn8_DEX_A_247 PDB CREDO	0.621	0.154	0.543	0.006
Rv3846_1ids_A	10	2bxq_IMN_A_2001 PDB CREDO	0.571	0.216	0.543	0.006
Rv3846_1ids_A	2	3frq_ERY_B_195 PDB CREDO	0.662	0.113	0.543	0.006
Rv3846_1ids_A	10	1fko_EFZ_A_999 PDB CREDO	0.746	0.050	0.543	0.006
Rv3846_1ids_A	2	1a28_STR_B_2 PDB CREDO	0.641	0.134	0.542	0.006
Rv3846_1ids_A	2	2aax_PDN_A_502 PDB CREDO	0.600	0.179	0.542	0.006
Rv3846_1ids_A	2	2aax_PDN_B_503 PDB CREDO	0.600	0.179	0.542	0.006
Rv3846_1ids_A	2	3gn8_DEX_B_247 PDB CREDO	0.620	0.156	0.542	0.006
Rv3846_1ids_A	2	1m2z_DEX_A_301 PDB CREDO	0.619	0.156	0.542	0.006
Rv3846_1ids_A	10	3pgh_FLP_B_701 PDB CREDO	0.624	0.151	0.541	0.006
Rv3846_1ids_A	2	3h52_486_A_3 PDB CREDO	0.702	0.079	0.541	0.006
Rv3846_1ids_A	2	2aa6_STR_B_402 PDB CREDO	0.598	0.182	0.540	0.006
Rv3846_1ids_A	2	2h77_T3_A_1 PDB CREDO	0.578	0.207	0.540	0.006
Rv3846_1ids_A	2	1xzx_T3_X_500 PDB CREDO	0.637	0.138	0.539	0.006
Rv3846_1ids_A	2	1ya3_STR_C_3001 PDB CREDO	0.600	0.179	0.539	0.006
Rv3846_1ids_A	2	2h42_VIA_B_902 PDB CREDO	0.577	0.208	0.537	0.006
Rv3846_1ids_A	2	3uvv_T3_A_501 PDB CREDO	0.635	0.140	0.537	0.006
Rv3846_1ids_A	10	1gsf_EAA_A_223 PDB CREDO	0.626	0.149	0.537	0.006
Rv3846_1ids_A	10	1gsf_EAA_B_223 PDB CREDO	0.626	0.149	0.537	0.006
Rv3846_1ids_A	10	1gsf_EAA_C_223 PDB CREDO	0.626	0.149	0.537	0.006
Rv3846_1ids_A	10	1gsf_EAA_D_223 PDB CREDO	0.626	0.149	0.537	0.006
Rv3846_1ids_A	10	1eqg_IBP_B_1701 PDB CREDO	0.618	0.158	0.536	0.006
Rv3846_1ids_A	2	1sa1_POD_B_700 PDB CREDO	0.738	0.055	0.536	0.006
Rv3846_1ids_A	2	3h52_486_B_1 PDB CREDO	0.716	0.069	0.536	0.006
Rv3846_1ids_A	2	3rhw_IVM_D_348 PDB CREDO	0.642	0.132	0.535	0.006
Rv3846_1ids_A	2	3ria_IVM_E_348 PDB CREDO	0.642	0.132	0.535	0.006
Rv3846_1ids_A	2	3ria_IVM_C_350 PDB CREDO	0.642	0.133	0.535	0.006
Rv3846_1ids_A	2	3rhw_IVM_D_349 PDB CREDO	0.641	0.134	0.534	0.006
Rv3846_1ids_A	2	3ri5_IVM_D_349 PDB CREDO	0.641	0.134	0.534	0.006
Rv3846_1ids_A	10	4cox_IMN_D_701 PDB CREDO	0.616	0.161	0.534	0.006
Rv3846_1ids_A	10	3s7s_EXM_A_601 PDB CREDO	0.588	0.194	0.534	0.006
Rv3846_1ids_A	2	3rhw_IVM_B_348 PDB CREDO	0.640	0.134	0.534	0.007
Rv3846_1ids_A	2	3ri5_IVM_B_349 PDB CREDO	0.640	0.134	0.534	0.007
Rv3846_1ids_A	2	3ria_IVM_A_348 PDB CREDO	0.640	0.134	0.534	0.007
Rv3846_1ids_A	2	3d90_NOG_A_1001 PDB CREDO	0.571	0.215	0.533	0.007
Rv3846_1ids_A	2	1mx1_THA_E_5 PDB CREDO	0.593	0.187	0.533	0.007
Rv3846_1ids_A	10	2jj8_AZZ_D_1211 PDB CREDO	0.587	0.195	0.533	0.007
Rv3846_1ids_A	2	3rif_IVM_E_402 PDB CREDO	0.639	0.136	0.532	0.007
Rv3846_1ids_A	2	3rhw_IVM_B_349 PDB CREDO	0.638	0.137	0.532	0.007
Rv3846_1ids_A	10	3rem_SAL_A_301 PDB CREDO	0.559	0.232	0.532	0.007
Rv3846_1ids_A	10	3ret_SAL_B_201 PDB CREDO	0.655	0.120	0.532	0.007
Rv3846_1ids_A	10	2jj8_AZZ_C_1211 PDB CREDO	0.585	0.197	0.532	0.007
Rv3846_1ids_A	10	1eqg_IBP_A_701 PDB CREDO	0.612	0.165	0.531	0.007
Rv3846_1ids_A	2	2h79_T3_A_1 PDB CREDO	0.587	0.194	0.531	0.007
Rv3846_1ids_A	2	3oht_1N1_A_1000 PDB CREDO	0.613	0.164	0.531	0.007
Rv3846_1ids_A	10	1lwe_NVP_A_999 PDB CREDO	0.640	0.134	0.530	0.007
Rv3846_1ids_A	10	3ret_SAL_A_201 PDB CREDO	0.652	0.123	0.529	0.007
Rv3846_1ids_A	2	3d90_NOG_B_2001 PDB CREDO	0.566	0.222	0.529	0.007
Rv3846_1ids_A	2	2aa5_STR_B_302 PDB CREDO	0.585	0.197	0.528	0.007
Rv3846_1ids_A	10	2jj8_AZZ_B_1211 PDB CREDO	0.582	0.202	0.528	0.007
Rv3846_1ids_A	2	2aa5_STR_A_301 PDB CREDO	0.584	0.198	0.528	0.007
Rv3846_1ids_A	2	1gs4_ZK5_A_1918 PDB CREDO	0.566	0.223	0.527	0.007
Rv3846_1ids_A	10	3hgx_SAL_B_104 PDB CREDO	0.649	0.126	0.527	0.007
Rv3846_1ids_A	10	3p4w_DSF_E_319 PDB CREDO	0.726	0.062	0.527	0.007
Rv3846_1ids_A	10	3axz_ADN_A_401 PDB CREDO	0.662	0.113	0.525	0.007
Rv3846_1ids_A	2	1uwh_BAX_B_1723 PDB CREDO	0.681	0.096	0.524	0.008
Rv3846_1ids_A	2	2y6o_1N1_A_1892 PDB CREDO	0.618	0.158	0.523	0.008
Rv3846_1ids_A	10	1cqp_803_B_311 PDB CREDO	0.604	0.175	0.523	0.008
Rv3846_1ids_A	10	1dyr_TOP_A_407 PDB CREDO	0.550	0.244	0.523	0.008
Rv3846_1ids_A	10	2w9s_TOP_C_1160 PDB CREDO	0.579	0.205	0.523	0.008
Rv3846_1ids_A	2	1uwh_BAX_A_1723 PDB CREDO	0.679	0.098	0.523	0.008
Rv3846_1ids_A	10	3fl9_TOP_A_200 PDB CREDO	0.578	0.207	0.522	0.008
Rv3846_1ids_A	10	3fl9_TOP_G_200 PDB CREDO	0.578	0.207	0.522	0.008
Rv3846_1ids_A	10	1ikw_EFZ_A_2000 PDB CREDO	0.548	0.247	0.521	0.008
Rv3846_1ids_A	10	1vrt_NVP_A_999 PDB CREDO	0.629	0.146	0.521	0.008
Rv3846_1ids_A	10	3p4w_DSF_D_319 PDB CREDO	0.718	0.068	0.521	0.008
Rv3846_1ids_A	2	1lhu_EST_A_301 PDB CREDO	0.539	0.260	0.520	0.008
Rv3846_1ids_A	10	1s1x_NVP_A_999 PDB CREDO	0.628	0.147	0.520	0.008
Rv3846_1ids_A	2	3ln1_CEL_D_682 PDB CREDO	0.538	0.261	0.520	0.008
Rv3846_1ids_A	10	2w9s_TOP_A_1160 PDB CREDO	0.575	0.210	0.520	0.008
Rv3846_1ids_A	10	3fl9_TOP_H_200 PDB CREDO	0.546	0.249	0.520	0.008
Rv3846_1ids_A	10	3mdv_CL6_B_506 PDB CREDO	0.520	0.288	0.520	0.008
Rv3846_1ids_A	10	3rf4_FUN_A_201 PDB CREDO	0.546	0.249	0.520	0.008
Rv3846_1ids_A	10	2jj8_AZZ_A_1211 PDB CREDO	0.572	0.214	0.519	0.008
Rv3846_1ids_A	10	3pgh_FLP_D_701 PDB CREDO	0.684	0.093	0.519	0.008
Rv3846_1ids_A	2	1ya4_CTX_C_3 PDB CREDO	0.672	0.104	0.518	0.008
Rv3846_1ids_A	10	1z11_8MO_B_501 PDB CREDO	0.574	0.212	0.518	0.008
Rv3846_1ids_A	10	3fl9_TOP_B_200 PDB CREDO	0.574	0.212	0.518	0.008
Rv3846_1ids_A	10	3hgx_SAL_A_102 PDB CREDO	0.638	0.136	0.518	0.008
Rv3846_1ids_A	10	3p4w_DSF_B_319 PDB CREDO	0.714	0.070	0.518	0.008
Rv3846_1ids_A	10	1udt_VIA_A_1000 PDB CREDO	0.624	0.151	0.517	0.008
Rv3846_1ids_A	10	2efj_37T_A_502 PDB CREDO	0.570	0.217	0.517	0.008
Rv3846_1ids_A	2	1lhv_NOG_A_301 PDB CREDO	0.611	0.166	0.517	0.008
Rv3846_1ids_A	10	3rf4_FUN_B_202 PDB CREDO	0.544	0.253	0.517	0.008
Rv3846_1ids_A	2	2ab2_SNL_A_502 PDB CREDO	0.630	0.145	0.517	0.008
Rv3846_1ids_A	2	2ito_IRE_A_2020 PDB CREDO	0.620	0.156	0.517	0.008
Rv3846_1ids_A	2	3mnp_DEX_A_784 PDB CREDO	0.650	0.125	0.516	0.009
Rv3846_1ids_A	10	1jlf_NVP_A_999 PDB CREDO	0.623	0.152	0.516	0.009
Rv3846_1ids_A	2	4eyb_0WO_A_303 PDB CREDO	0.534	0.266	0.516	0.009
Rv3846_1ids_A	10	1fdu_EST_D_352 PDB CREDO	0.542	0.255	0.516	0.009
Rv3846_1ids_A	10	3rf4_FUN_C_203 PDB CREDO	0.542	0.255	0.516	0.009
Rv3846_1ids_A	2	2ab2_SNL_B_503 PDB CREDO	0.628	0.147	0.515	0.009
Rv3846_1ids_A	2	2oax_SNL_C_3001 PDB CREDO	0.628	0.147	0.515	0.009
Rv3846_1ids_A	2	2uxo_TAC_B_1211 PDB CREDO	0.695	0.085	0.515	0.009
Rv3846_1ids_A	2	3ut5_LOC_B_502 PDB CREDO	0.667	0.108	0.514	0.009
Rv3846_1ids_A	2	3k54_1N1_A_1 PDB CREDO	0.572	0.214	0.514	0.009
Rv3846_1ids_A	2	3ads_IMN_B_3 PDB CREDO	0.784	0.031	0.513	0.009
Rv3846_1ids_A	2	3mno_DEX_A_784 PDB CREDO	0.645	0.130	0.512	0.009
Rv3846_1ids_A	10	1udu_CIA_A_1003 PDB CREDO	0.538	0.261	0.512	0.009
Rv3846_1ids_A	10	2bxp_P1Z_A_3001 PDB CREDO	0.563	0.226	0.512	0.009
Rv3846_1ids_A	10	1fkp_NVP_A_999 PDB CREDO	0.704	0.078	0.512	0.009
Rv3846_1ids_A	2	1ya4_CTX_B_2 PDB CREDO	0.661	0.114	0.510	0.009
Rv3846_1ids_A	2	2cbr_A80_A_201 PDB CREDO	0.589	0.192	0.510	0.009
Rv3846_1ids_A	2	2oax_SNL_B_2001 PDB CREDO	0.622	0.154	0.510	0.009
Rv3846_1ids_A	2	3vhu_SNL_A_1001 PDB CREDO	0.621	0.154	0.509	0.009
Rv3846_1ids_A	2	4eb6_VLB_C_503 PDB CREDO	0.547	0.249	0.509	0.009
Rv3846_1ids_A	10	1lwc_NVP_A_999 PDB CREDO	0.700	0.081	0.509	0.010
Rv3846_1ids_A	10	1cqe_FLP_A_1650 PDB CREDO	0.671	0.105	0.509	0.010
Rv3846_1ids_A	10	1cqe_FLP_B_2650 PDB CREDO	0.671	0.105	0.509	0.010
Rv3846_1ids_A	10	2w8y_NDR_B_1000 PDB CREDO	0.790	0.029	0.508	0.010
Rv3846_1ids_A	2	1g50_EST_A_600 PDB CREDO	0.685	0.093	0.508	0.010
Rv3846_1ids_A	2	3aod_RFP_C_2002 PDB CREDO	0.565	0.223	0.508	0.010
Rv3846_1ids_A	10	2vpp_GEO_A_1210 PDB CREDO	0.559	0.232	0.507	0.010
Rv3846_1ids_A	2	3ads_IMN_A_2 PDB CREDO	0.506	0.308	0.506	0.010
Rv3846_1ids_A	2	2fum_MIX_D_3539 PDB CREDO	0.524	0.282	0.506	0.010
Rv3846_1ids_A	10	1jb0_PQN_B_2002 PDB CREDO	0.531	0.272	0.505	0.010
Rv3846_1ids_A	10	3pcq_PQN_B_842 PDB CREDO	0.531	0.272	0.505	0.010
Rv3846_1ids_A	10	1lwf_NVP_A_999 PDB CREDO	0.694	0.086	0.504	0.010
Rv3846_1ids_A	10	3hm1_J3Z_A_2 PDB CREDO	0.582	0.202	0.504	0.010
Rv3846_1ids_A	10	1eqh_FLP_A_701 PDB CREDO	0.665	0.111	0.504	0.010
Rv3846_1ids_A	10	1eqh_FLP_B_1701 PDB CREDO	0.665	0.111	0.504	0.010
Rv3846_1ids_A	10	2jap_J01_B_1249 PDB CREDO	0.529	0.274	0.504	0.010
Rv3846_1ids_A	2	3ols_EST_B_600 PDB CREDO	0.680	0.097	0.504	0.010
Rv3846_1ids_A	10	1e7a_PFL_A_4001 PDB CREDO	0.587	0.194	0.504	0.010
Rv3846_1ids_A	2	2yja_EST_B_1550 PDB CREDO	0.679	0.098	0.503	0.010
Rv3846_1ids_A	2	1qkn_RAL_A_600 PDB CREDO	0.575	0.210	0.503	0.010
Rv3846_1ids_A	10	2jap_J01_A_1249 PDB CREDO	0.528	0.276	0.503	0.010
Rv3846_1ids_A	10	2jap_J01_C_1249 PDB CREDO	0.528	0.276	0.503	0.010
Rv3846_1ids_A	10	2jap_J01_D_1249 PDB CREDO	0.528	0.276	0.503	0.010
Rv3846_1ids_A	10	2w3v_TOP_A_1169 PDB CREDO	0.528	0.276	0.503	0.010
Rv3846_1ids_A	10	1e7a_PFL_B_4001 PDB CREDO	0.586	0.196	0.502	0.011
Rv3846_1ids_A	10	3hbb_TMQ_B_612 PDB CREDO	0.502	0.315	0.502	0.011
Rv3846_1ids_A	2	3uud_EST_B_600 PDB CREDO	0.678	0.099	0.502	0.011
Rv3846_1ids_A	2	1cil_ETS_A_263 PDB CREDO	0.520	0.288	0.502	0.011
Rv3846_1ids_A	2	3sxr_1N1_A_1 PDB CREDO	0.650	0.124	0.502	0.011
Rv3846_1ids_A	2	3uud_EST_A_600 PDB CREDO	0.677	0.100	0.502	0.011
Rv3846_1ids_A	2	1s9p_DES_B_459 PDB CREDO	0.649	0.126	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
manganesePubChem	0.999	54.938
Fe(III)PubChem	0.997	55.845
hydrogen peroxidePubChem	0.997	34.0147
hydroxyl radicalsPubChem	0.989	17.0073
molecular oxygenPubChem	0.987	31.9988
superoxidePubChem	0.975	33.0067
paraquatPubChem	0.962	257.159
azidePubChem	0.947	42.0201
copperPubChem	0.934	63.546
cyanidePubChem	0.927	27.0253
H(+)PubChem	0.921	2.01588
deuteriumPubChem	0.917	2.01588
acetatePubChem	0.907	59.044
menadionePubChem	0.903	172.18
protiumPubChem	0.9	2.01576
sulfatePubChem	0.9	96.0626
zincPubChem	0.886	65.409
ethanolPubChem	0.883	46.0684
copper chelatorPubChem	0.872	564.54
2-mercaptoethanolPubChem	0.866	78.1334
3-nitrotyrosinePubChem	0.866	226.186
copper-zincPubChem	0.864	641.049
nitritePubChem	0.863	225.181
ascorbic acidPubChem	0.861	176.124
seleniumPubChem	0.858	78.96
hydrazinePubChem	0.854	32.0452
diethyldithiocarbamatePubChem	0.854	149.278
N-acetylcysteinePubChem	0.851	163.195
vitamin EPubChem	0.846	430.706
NaClPubChem	0.845	58.4428
quercetinPubChem	0.84	302.236
homocysteinePubChem	0.84	135.185
ozonePubChem	0.838	47.9982
malondialdehydePubChem	0.833	72.0627
N(G)-nitro-L-arginine methyl esterPubChem	0.832	233.225
selegilinePubChem	0.832	187.281
doxorubicinPubChem	0.832	544.527
melatoninPubChem	0.832	232.278
buthionine sulfoximinePubChem	0.832	222.305
sodium nitroprussidePubChem	0.832	307.897
beta-carotenePubChem	0.832	536.873
sodium selenitePubChem	0.831	172.938
resveratrolPubChem	0.831	228.243
silymarinPubChem	0.831	482.436
peroxynitritePubChem	0.829	62.0049
EGCGPubChem	0.829	458.372
2(3)-tert-butyl-4-hydroxyanisolePubChem	0.829	360.487
lead acetatePubChem	0.828	325.288
Na(+)PubChem	0.827	22.9898
nitroglycerinPubChem	0.826	227.087
taurinePubChem	0.82	125.147
caffeic acidPubChem	0.818	180.157
manganese dioxidePubChem	0.815	86.9369
potassium dichromatePubChem	0.813	294.185
naringinPubChem	0.806	580.535
lindanePubChem	0.802	290.83
genisteinPubChem	0.796	270.237
hydron sulfatePubChem	0.792	196.157
N-ethylmaleimidePubChem	0.777	125.125
N-acetyl-DL-homocysteine thiolactonePubChem	0.775	159.206
trehalosePubChem	0.766	342.296
silibininPubChem	0.758	482.436
edaravonePubChem	0.756	174.199
O(2)PubChem	0.756	15.9994
artemetherPubChem	0.748	298.375
selenomethioninePubChem	0.744	196.106
thenoyltrifluoroacetonePubChem	0.743	222.184
hydroxyl radicalPubChem	0.741	17.0073
potassium cyanidePubChem	0.74	65.1157
isoproterenolPubChem	0.739	211.258
4-guanidino-n-butyl syringatePubChem	0.739	311.334
SeMetPubChem	0.739	196.106
hydroxylaminePubChem	0.735	33.0299
succinatePubChem	0.73	118.088
3-fluorotyrosinePubChem	0.727	199.179
4Fe-4SPubChem	0.724	88.9179
desferrioxaminePubChem	0.724	560.684
sodium azidePubChem	0.722	65.0099
docosahexaenoic acidPubChem	0.719	328.488
2,2'-bipyridinePubChem	0.716	156.184
potassiumPubChem	0.716	39.0983
hemePubChem	0.714	616.487
MnTMPyPPubChem	0.71	731.748
hydride acetatePubChem	0.709	61.0599
34aPubChem	0.706	121.18
plumbaginPubChem	0.704	188.179
phenylmethanesulfonic acidPubChem	0.701	172.202
oleic acidPubChem	0.701	282.461
apocyninPubChem	0.7	166.174