SInCRe - Rv3676

Tuberculist information

Gene name	crp
Protein function	Transcriptional regulatory protein Crp (Crp/Fnr-family)
Functional category(tuberculist)	regulatory proteins
Gene location(kb)	4116.48
Molecular mass(da)	24759.3
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 224

	  		  	1    VDEILARAGIFQGVEPSAIAALTKQLQPVDFPRGHTVFAEGEPGDRLYIIISGKVKIGRR   60
			  	61   APDGRENLLTIMGPSDMFGELSIFDPGPRTSSATTITEVRAVSMDRDALRSWIADRPEIS  120
			  	121  EQLLRVLARRLRRTNNNLADLIFTDVPGRVAKQLLQLAQRFGTQEGGALRVTHDLTQEEI  180
			  	181  AQLVGASRETVNKALADFAHRGWIRLEGKSVLISDSERLARRAR

Known structures in the PDB

	PDB ID	3D0S
	Total residue count	454
	Number of chains	2
	Method	X-RAY
	Resolution	2

	PDB ID	3H3U
	Total residue count	448
	Number of chains	2
	Method	X-RAY
	Resolution	2.9

	PDB ID	3I54
	Total residue count	996
	Number of chains	4
	Method	X-RAY
	Resolution	2.2

	PDB ID	3I59
	Total residue count	498
	Number of chains	2
	Method	X-RAY
	Resolution	2.29

	PDB ID	3MZH
	Total residue count	491
	Number of chains	4
	Method	X-RAY
	Resolution	2.9

	PDB ID	4A2U
	Total residue count	1816
	Number of chains	8
	Method	X-RAY
	Resolution	2.63

Number of amino acids : 224

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
cNMP_binding	PF00027	28-118
HTH_Crp_2	PF13545	148-222

Mtb Structural Proteome models

Model Number	1
Model name	Rv3676_3d0s_A
Template	3D0S APDB CREDO
Template coverage	1_224
Template Identity(%)	100.0
Model coverage(%)	99.6
Normalized DOPE score	-1.636

Model Number	2
Model name	Rv3676
Template	2GAU APDB CREDO
Template coverage	10_230
Template Identity(%)	25.9
Model coverage(%)	99.6
Normalized DOPE score	-1.085

Structure Models from Chopin

Model Number	1
Profile	a.4.5.4, b.82.3.2 - 1.10.10.10, 2.60.120.10 Click for model details
zscore	38.22
Residue begin	1
Residue end	224

Model Number	2
Profile	b.82.3.1 Click for model details
zscore	22.77
Residue begin	5
Residue end	144

Model Number	3
Profile	a.4.5.4 Click for model details
zscore	9.32
Residue begin	144
Residue end	224

Binding pockets

STRING

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

Protein interacting with Rv3676	Gene name	Confidence Score
Rv3457c	rpoA	0.999
Rv3457c	rpoA	0.999
Rv3457c	rpoA	0.999

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv3676_3d0s_A	2	1hwi_115_B_1 PDB CREDO	0.672	0.104	0.651	0.001
Rv3676_3d0s_A	2	1hwi_115_D_3 PDB CREDO	0.667	0.108	0.647	0.001
Rv3676_3d0s_A	2	1hwk_117_D_3 PDB CREDO	0.656	0.118	0.636	0.001
Rv3676_3d0s_A	2	1hwl_FBI_C_4 PDB CREDO	0.673	0.103	0.633	0.001
Rv3676_3d0s_A	2	1hwl_FBI_A_2 PDB CREDO	0.672	0.104	0.632	0.001
Rv3676_3d0s_A	2	1hwl_FBI_B_1 PDB CREDO	0.671	0.105	0.631	0.001
Rv3676_3d0s_A	2	1hwl_FBI_D_3 PDB CREDO	0.670	0.106	0.630	0.001
Rv3676_3d0s_A	4	1hwi_115_A_2 PDB CREDO	0.650	0.124	0.629	0.001
Rv3676_3d0s_A	2	1hwk_117_C_4 PDB CREDO	0.684	0.094	0.624	0.001
Rv3676_3d0s_A	2	1hwk_117_A_2 PDB CREDO	0.682	0.095	0.623	0.001
Rv3676_3d0s_A	2	1hwi_115_A_2 PDB CREDO	0.689	0.090	0.606	0.002
Rv3676_3d0s_A	2	1hwk_117_B_1 PDB CREDO	0.689	0.089	0.594	0.002
Rv3676_3d0s_A	4	1hwi_115_D_3 PDB CREDO	0.674	0.102	0.592	0.002
Rv3676_3d0s_A	4	1hwi_115_B_1 PDB CREDO	0.672	0.104	0.590	0.003
Rv3676_3d0s_A	4	1hwi_115_C_4 PDB CREDO	0.629	0.146	0.588	0.003
Rv3676_3d0s_A	4	2xpv_MIY_A_1209 PDB CREDO	0.650	0.125	0.586	0.003
Rv3676_3d0s_A	4	2a69_RPT_M_8002 PDB CREDO	0.575	0.211	0.575	0.003
Rv3676_3d0s_A	4	1hwl_FBI_B_1 PDB CREDO	0.716	0.069	0.573	0.003
Rv3676_3d0s_A	4	1hwk_117_D_3 PDB CREDO	0.693	0.086	0.572	0.003
Rv3676_3d0s_A	2	1hwi_115_C_4 PDB CREDO	0.718	0.068	0.571	0.004
Rv3676_3d0s_A	4	1hwl_FBI_D_3 PDB CREDO	0.712	0.072	0.570	0.004
Rv3676_3d0s_A	4	3frq_ERY_B_195 PDB CREDO	0.641	0.133	0.563	0.004
Rv3676_3d0s_A	4	1hwl_FBI_C_4 PDB CREDO	0.703	0.079	0.563	0.004
Rv3676_3d0s_A	4	1hwl_FBI_A_2 PDB CREDO	0.702	0.080	0.562	0.004
Rv3676_3d0s_A	4	1cil_ETS_A_263 PDB CREDO	0.580	0.204	0.560	0.004
Rv3676_3d0s_A	4	1ynn_RFP_C_1120 PDB CREDO	0.637	0.138	0.554	0.005
Rv3676_3d0s_A	4	3n58_ADN_A_500 PDB CREDO	0.614	0.163	0.554	0.005
Rv3676_3d0s_A	4	1hwk_117_A_2 PDB CREDO	0.711	0.072	0.553	0.005
Rv3676_3d0s_A	4	1hwk_117_C_4 PDB CREDO	0.710	0.073	0.552	0.005
Rv3676_3d0s_A	4	3ut5_LOC_D_502 PDB CREDO	0.628	0.147	0.552	0.005
Rv3676_3d0s_A	4	1hwk_117_B_1 PDB CREDO	0.753	0.046	0.552	0.005
Rv3676_3d0s_A	2	2a69_RPT_M_8002 PDB CREDO	0.642	0.133	0.546	0.005
Rv3676_3d0s_A	4	3e22_LOC_D_700 PDB CREDO	0.615	0.162	0.540	0.006
Rv3676_3d0s_A	4	3k2h_LYA_B_514 PDB CREDO	0.597	0.182	0.538	0.006
Rv3676_3d0s_A	4	3tkd_CYZ_A_266 PDB CREDO	0.613	0.164	0.538	0.006
Rv3676_3d0s_A	4	3e22_LOC_B_700 PDB CREDO	0.611	0.166	0.536	0.006
Rv3676_3d0s_A	4	2xpw_OTC_A_222 PDB CREDO	0.716	0.069	0.536	0.006
Rv3676_3d0s_A	4	3f4x_KLT_A_300 PDB CREDO	0.689	0.090	0.536	0.006
Rv3676_3d0s_A	2	1ynn_RFP_C_1120 PDB CREDO	0.723	0.064	0.536	0.006
Rv3676_3d0s_A	4	2h77_T3_A_1 PDB CREDO	0.534	0.266	0.534	0.006
Rv3676_3d0s_A	4	3jwq_VIA_D_901 PDB CREDO	0.552	0.241	0.534	0.006
Rv3676_3d0s_A	4	3ut5_LOC_B_502 PDB CREDO	0.645	0.130	0.532	0.007
Rv3676_3d0s_A	2	1uob_PNN_A_1311 PDB CREDO	0.565	0.223	0.532	0.007
Rv3676_3d0s_A	4	2h79_T3_A_1 PDB CREDO	0.549	0.245	0.531	0.007
Rv3676_3d0s_A	2	1cil_ETS_A_263 PDB CREDO	0.642	0.132	0.528	0.007
Rv3676_3d0s_A	4	2vke_TAC_A_222 PDB CREDO	0.705	0.077	0.528	0.007
Rv3676_3d0s_A	2	3tkd_CYZ_A_266 PDB CREDO	0.542	0.255	0.525	0.007
Rv3676_3d0s_A	4	4eyb_0WO_A_303 PDB CREDO	0.583	0.200	0.525	0.007
Rv3676_3d0s_A	4	4eb6_VLB_C_503 PDB CREDO	0.603	0.175	0.525	0.007
Rv3676_3d0s_A	4	1lhv_NOG_A_301 PDB CREDO	0.576	0.209	0.522	0.008
Rv3676_3d0s_A	4	3qt0_486_A_4 PDB CREDO	0.539	0.259	0.521	0.008
Rv3676_3d0s_A	4	1d4f_ADN_C_603 PDB CREDO	0.578	0.207	0.521	0.008
Rv3676_3d0s_A	4	3gws_T3_X_500 PDB CREDO	0.555	0.237	0.520	0.008
Rv3676_3d0s_A	4	1zgy_BRL_A_503 PDB CREDO	0.517	0.292	0.517	0.008
Rv3676_3d0s_A	4	3frq_ERY_A_195 PDB CREDO	0.685	0.093	0.517	0.008
Rv3676_3d0s_A	4	2a69_RPT_C_8001 PDB CREDO	0.639	0.136	0.516	0.009
Rv3676_3d0s_A	2	3ut5_LOC_D_502 PDB CREDO	0.531	0.271	0.515	0.009
Rv3676_3d0s_A	4	2o7o_DXT_A_222 PDB CREDO	0.744	0.051	0.515	0.009
Rv3676_3d0s_A	4	1oq5_CEL_A_701 PDB CREDO	0.591	0.190	0.514	0.009
Rv3676_3d0s_A	4	2trt_TAC_A_222 PDB CREDO	0.742	0.052	0.514	0.009
Rv3676_3d0s_A	4	3tkd_CYZ_B_267 PDB CREDO	0.620	0.155	0.512	0.009
Rv3676_3d0s_A	4	1uob_PNN_A_1311 PDB CREDO	0.639	0.136	0.512	0.009
Rv3676_3d0s_A	4	2aa5_STR_A_301 PDB CREDO	0.528	0.276	0.510	0.009
Rv3676_3d0s_A	4	1bsx_T3_A_1 PDB CREDO	0.545	0.251	0.510	0.009
Rv3676_3d0s_A	4	1bsx_T3_B_2 PDB CREDO	0.545	0.251	0.510	0.009
Rv3676_3d0s_A	4	1jg2_ADN_A_500 PDB CREDO	0.546	0.249	0.510	0.009
Rv3676_3d0s_A	4	2aa5_STR_B_302 PDB CREDO	0.526	0.279	0.509	0.010
Rv3676_3d0s_A	4	3n58_ADN_D_500 PDB CREDO	0.629	0.146	0.508	0.010
Rv3676_3d0s_A	2	3n58_ADN_A_500 PDB CREDO	0.662	0.113	0.508	0.010
Rv3676_3d0s_A	2	3ut5_LOC_B_502 PDB CREDO	0.522	0.284	0.506	0.010
Rv3676_3d0s_A	2	2a68_RBT_C_8001 PDB CREDO	0.684	0.094	0.506	0.010
Rv3676_3d0s_A	4	3bbt_FMM_D_91 PDB CREDO	0.523	0.283	0.506	0.010
Rv3676_3d0s_A	2	3tkd_CYZ_B_267 PDB CREDO	0.520	0.288	0.504	0.010
Rv3676_3d0s_A	4	1z2b_VLB_C_800 PDB CREDO	0.629	0.146	0.503	0.010
Rv3676_3d0s_A	4	3ce6_ADN_C_500 PDB CREDO	0.623	0.153	0.503	0.010
Rv3676_3d0s_A	4	1xzx_T3_X_500 PDB CREDO	0.555	0.237	0.503	0.010
Rv3676_3d0s_A	4	3ce6_ADN_D_500 PDB CREDO	0.622	0.154	0.503	0.010
Rv3676_3d0s_A	4	3jwq_VIA_B_901 PDB CREDO	0.578	0.206	0.503	0.010
Rv3676_3d0s_A	4	1sa1_POD_B_700 PDB CREDO	0.647	0.128	0.503	0.010
Rv3676_3d0s_A	2	3frq_ERY_B_195 PDB CREDO	0.518	0.290	0.502	0.011
Rv3676_3d0s_A	4	3uvv_T3_A_501 PDB CREDO	0.554	0.238	0.502	0.011
Rv3676_3d0s_A	4	3ce6_ADN_B_500 PDB CREDO	0.621	0.155	0.502	0.011
Rv3676_3d0s_A	4	3ce6_ADN_A_500 PDB CREDO	0.620	0.156	0.501	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
cyclic AMPPubChem	0.988	329.206
selenomethioninePubChem	0.971	196.106
SeMetPubChem	0.971	196.106
hydron sulfatePubChem	0.901	196.157
sulfatePubChem	0.901	96.0626
N6RPubChem	0.9	447.382
chloridePubChem	0.9	35.453
N6SPubChem	0.9	447.382
formatePubChem	0.711	45.0174