SInCRe - Rv2391

Tuberculist information

Gene name	sirA
Protein function	Ferredoxin-dependent sulfite reductase SirA
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	2684.68
Molecular mass(da)	62997.5
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 563

	  		  	1    MSAKENPQMTTARPAKARNEGQWALGHREPLNANEELKKAGNPLDVRERIENIYAKQGFD   60
			  	61   SIDKTDLRGRFRWWGLYTQREQGYDGTWTGDDNIDKLEAKYFMMRVRCDGGALSAAALRT  120
			  	121  LGQISTEFARDTADISDRQNVQYHWIEVENVPEIWRRLDDVGLQTTEACGDCPRVVLGSP  180
			  	181  LAGESLDEVLDPTWAIEEIVRRYIGKPDFADLPRKYKTAISGLQDVAHEINDVAFIGVNH  240
			  	241  PEHGPGLDLWVGGGLSTNPMLAQRVGAWVPLGEVPEVWAAVTSVFRDYGYRRLRAKARLK  300
			  	301  FLIKDWGIAKFREVLETEYLKRPLIDGPAPEPVKHPIDHVGVQRLKNGLNAVGVAPIAGR  360
			  	361  VSGTILTAVADLMARAGSDRIRFTPYQKLVILDIPDALLDDLIAGLDALGLQSRPSHWRR  420
			  	421  NLMACSGIEFCKLSFAETRVRAQHLVPELERRLEDINSQLDVPITVNINGCPNSCARIQI  480
			  	481  ADIGFKGQMIDDGHGGSVEGFQVHLGGHLGLDAGFGRKLRQHKVTSDELGDYIDRVVRNF  540
			  	541  VKHRSEGERFAQWVIRAEEDDLR

Known structures in the PDB

	PDB ID	1ZJ8
	Total residue count	1132
	Number of chains	2
	Method	X-RAY
	Resolution	2.8

	PDB ID	1ZJ9
	Total residue count	1132
	Number of chains	2
	Method	X-RAY
	Resolution	2.9

Number of amino acids : 563

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
NIR_SIR_ferr	PF03460	86-153
NIR_SIR	PF01077	161-316
NIR_SIR_ferr	PF03460	335-401
NIR_SIR	PF01077	409-554

Mtb Structural Proteome models

Model Number	1
Model name	Rv2391_1zj9_A
Template	1ZJ9 APDB CREDO
Template coverage	10_555
Template Identity(%)	100.0
Model coverage(%)	96.8
Normalized DOPE score	-1.586

Model Number	2
Model name	Rv2391
Template	1ZJ8 APDB CREDO
Template coverage	10_555
Template Identity(%)	100.0
Model coverage(%)	96.8
Normalized DOPE score	-1.345

Structure Models from Chopin

Model Number	1
Profile	d.134.1.1 Click for model details
zscore	18.78
Residue begin	169
Residue end	324

Model Number	2
Profile	d.134.1.1 Click for model details
zscore	18.78
Residue begin	417
Residue end	572

Model Number	3
Profile	d.134.1.1, d.58.36.1 Click for model details
zscore	14.81
Residue begin	1
Residue end	68

Model Number	4
Profile	d.58.36.2 Click for model details
zscore	10.06
Residue begin	1
Residue end	68

Model Number	5
Profile	d.58.36.2 Click for model details
zscore	10.06
Residue begin	94
Residue end	161

Model Number	6
Profile	d.58.36.2 Click for model details
zscore	10.06
Residue begin	343
Residue end	410

Binding pockets

STRING

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

Protein interacting with Rv2391	Gene name	Confidence Score
Rv2392	cysH	0.999
Rv2334	cysK1	0.975
Rv2847c	cysG	0.972
Rv2847c	cysG	0.972
Rv2220	glnA1	0.969
Rv2220	glnA1	0.969
Rv2222c	glnA2	0.968
Rv2222c	glnA2	0.968
Rv1161	narG	0.957
Rv1161	narG	0.957
Rv1161	narG	0.957
Rv1286	cysN	0.956
Rv1286	cysN	0.956
Rv1286	cysN	0.956
Rv1285	cysD	0.951
Rv1162	narH	0.942
Rv1162	narH	0.942
Rv2007c	fdxA	0.935
Rv2476c	gdh	0.919
Rv2860c	glnA4	0.916
Rv2860c	glnA4	0.916
Rv0848	cysK2	0.916
Rv3914	trxC	0.908
Rv1736c	narX	0.901
Rv1878	glnA3	0.901
Rv1736c	narX	0.901
Rv1736c	narX	0.901

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv2391_1zj9_A	1	2h77_T3_A_1 PDB CREDO	0.587	0.195	0.567	0.004
Rv2391_1zj9_A	1	3qt0_486_A_4 PDB CREDO	0.562	0.227	0.562	0.004
Rv2391_1zj9_A	1	1kij_NOV_A_400 PDB CREDO	0.560	0.230	0.560	0.004
Rv2391_1zj9_A	1	3oht_1N1_B_1000 PDB CREDO	0.599	0.180	0.559	0.004
Rv2391_1zj9_A	1	2fum_MIX_D_3539 PDB CREDO	0.556	0.235	0.556	0.005
Rv2391_1zj9_A	1	2h79_T3_A_1 PDB CREDO	0.590	0.192	0.551	0.005
Rv2391_1zj9_A	1	3oct_1N1_A_663 PDB CREDO	0.570	0.217	0.551	0.005
Rv2391_1zj9_A	1	1bsx_T3_B_2 PDB CREDO	0.608	0.169	0.551	0.005
Rv2391_1zj9_A	1	2y6o_1N1_A_1892 PDB CREDO	0.628	0.147	0.550	0.005
Rv2391_1zj9_A	1	1bsx_T3_A_1 PDB CREDO	0.608	0.170	0.550	0.005
Rv2391_1zj9_A	1	2xkw_P1B_B_1475 PDB CREDO	0.610	0.167	0.549	0.005
Rv2391_1zj9_A	1	3gws_T3_X_500 PDB CREDO	0.603	0.176	0.545	0.005
Rv2391_1zj9_A	1	1zgy_BRL_A_503 PDB CREDO	0.563	0.226	0.545	0.005
Rv2391_1zj9_A	1	1cil_ETS_A_263 PDB CREDO	0.544	0.252	0.544	0.006
Rv2391_1zj9_A	1	1fm6_BRL_D_503 PDB CREDO	0.580	0.204	0.541	0.006
Rv2391_1zj9_A	1	4eyb_0WO_A_303 PDB CREDO	0.580	0.204	0.541	0.006
Rv2391_1zj9_A	1	3ln1_CEL_D_682 PDB CREDO	0.540	0.258	0.540	0.006
Rv2391_1zj9_A	1	3spk_TPV_A_100 PDB CREDO	0.555	0.238	0.536	0.006
Rv2391_1zj9_A	1	1xzx_T3_X_500 PDB CREDO	0.611	0.166	0.536	0.006
Rv2391_1zj9_A	1	3bbt_FMM_D_91 PDB CREDO	0.534	0.267	0.534	0.007
Rv2391_1zj9_A	1	2prg_BRL_A_1 PDB CREDO	0.571	0.215	0.533	0.007
Rv2391_1zj9_A	1	1s9p_DES_A_459 PDB CREDO	0.571	0.216	0.532	0.007
Rv2391_1zj9_A	1	3uvv_T3_A_501 PDB CREDO	0.607	0.170	0.532	0.007
Rv2391_1zj9_A	1	3hec_STI_A_1 PDB CREDO	0.625	0.150	0.531	0.007
Rv2391_1zj9_A	1	3oht_1N1_A_1000 PDB CREDO	0.632	0.142	0.529	0.007
Rv2391_1zj9_A	1	1hwi_115_A_2 PDB CREDO	0.565	0.224	0.528	0.007
Rv2391_1zj9_A	1	3k2h_LYA_B_514 PDB CREDO	0.561	0.228	0.524	0.008
Rv2391_1zj9_A	1	1uob_PNN_A_1311 PDB CREDO	0.676	0.100	0.523	0.008
Rv2391_1zj9_A	1	3qlg_1N1_A_601 PDB CREDO	0.674	0.102	0.523	0.008
Rv2391_1zj9_A	1	1jg2_ADN_A_500 PDB CREDO	0.540	0.258	0.522	0.008
Rv2391_1zj9_A	1	3qlg_1N1_B_601 PDB CREDO	0.670	0.106	0.519	0.008
Rv2391_1zj9_A	1	3oez_STI_B_601 PDB CREDO	0.611	0.166	0.519	0.008
Rv2391_1zj9_A	1	3g5d_1N1_B_1 PDB CREDO	0.668	0.107	0.518	0.008
Rv2391_1zj9_A	1	3jwq_VIA_D_901 PDB CREDO	0.517	0.293	0.517	0.008
Rv2391_1zj9_A	1	3cs8_BRL_A_503 PDB CREDO	0.691	0.088	0.515	0.009
Rv2391_1zj9_A	1	1d4f_ADN_C_603 PDB CREDO	0.551	0.242	0.514	0.009
Rv2391_1zj9_A	1	1uwh_BAX_B_1723 PDB CREDO	0.643	0.132	0.513	0.009
Rv2391_1zj9_A	1	3g5d_1N1_A_1 PDB CREDO	0.661	0.114	0.513	0.009
Rv2391_1zj9_A	1	3o1c_ADN_A_127 PDB CREDO	0.591	0.190	0.513	0.009
Rv2391_1zj9_A	1	1uwh_BAX_A_1723 PDB CREDO	0.642	0.133	0.512	0.009
Rv2391_1zj9_A	1	4asd_BAX_A_1500 PDB CREDO	0.681	0.096	0.512	0.009
Rv2391_1zj9_A	1	1z9y_FUN_A_500 PDB CREDO	0.635	0.140	0.511	0.009
Rv2391_1zj9_A	1	1fm6_BRL_X_504 PDB CREDO	0.582	0.201	0.510	0.009
Rv2391_1zj9_A	1	1hwi_115_D_3 PDB CREDO	0.601	0.178	0.510	0.009
Rv2391_1zj9_A	1	3h0a_9RA_A_500 PDB CREDO	0.510	0.303	0.510	0.009
Rv2391_1zj9_A	1	3k54_1N1_A_1 PDB CREDO	0.587	0.195	0.510	0.009
Rv2391_1zj9_A	5	1xkk_FMM_A_91 PDB CREDO	0.709	0.074	0.509	0.010
Rv2391_1zj9_A	1	1hwi_115_B_1 PDB CREDO	0.599	0.180	0.508	0.010
Rv2391_1zj9_A	1	3qgz_ADN_A_127 PDB CREDO	0.584	0.199	0.507	0.010
Rv2391_1zj9_A	1	2a69_RPT_M_8002 PDB CREDO	0.523	0.284	0.505	0.010
Rv2391_1zj9_A	1	1d4f_ADN_B_602 PDB CREDO	0.604	0.174	0.505	0.010
Rv2391_1zj9_A	1	1uwj_BAX_B_1723 PDB CREDO	0.672	0.104	0.505	0.010
Rv2391_1zj9_A	1	3kw2_ADN_A_300 PDB CREDO	0.602	0.177	0.503	0.010
Rv2391_1zj9_A	1	1lhu_EST_A_301 PDB CREDO	0.539	0.260	0.503	0.010
Rv2391_1zj9_A	1	1d4f_ADN_D_604 PDB CREDO	0.598	0.181	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
ammoniaPubChem	0.968	17.0305
nitrous acidPubChem	0.935	46.0055
DB02832PubChem	0.918	914.645
chloridePubChem	0.9	35.453