SInCRe - Rv2457c

Tuberculist information

Gene name	clpX
Protein function	Probable ATP-dependent CLP protease ATP-binding subunit ClpX
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	2758.21
Molecular mass(da)	46782.7
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 426

	  		  	1    MARIGDGGDLLKCSFCGKSQKQVKKLIAGPGVYICDECIDLCNEIIEEELADADDVKLDE   60
			  	61   LPKPAEIREFLEGYVIGQDTAKRTLAVAVYNHYKRIQAGEKGRDSRCEPVELTKSNILML  120
			  	121  GPTGCGKTYLAQTLAKMLNVPFAIADATALTEAGYVGEDVENILLKLIQAADYDVKRAET  180
			  	181  GIIYIDEVDKIARKSENPSITRDVSGEGVQQALLKILEGTQASVPPQGGRKHPHQEFIQI  240
			  	241  DTTNVLFIVAGAFAGLEKIIYERVGKRGLGFGAEVRSKAEIDTTDHFADVMPEDLIKFGL  300
			  	301  IPEFIGRLPVVASVTNLDKESLVKILSEPKNALVKQYIRLFEMDGVELEFTDDALEAIAD  360
			  	361  QAIHRGTGARGLRAIMEEVLLPVMYDIPSRDDVAKVVVTKETVQDNVLPTIVPRKPSRSE  420
			  	421  RRDKSA

Known structures in the PDB

No Known structures

Number of amino acids : 426

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
zf-C4_ClpX	PF06689	10-49
AAA_2	PF07724	112-311
ClpB_D2-small	PF10431	317-400

Mtb Structural Proteome models

Model Number	1
Model name	Rv2457c
Template	1UM8 APDB CREDO
Template coverage	76_437
Template Identity(%)	48.3
Model coverage(%)	83.1
Normalized DOPE score	-0.525

Model Number	2
Model name	Rv2457c.1
Template	1QVR APDB CREDO
Template coverage	482_833
Template Identity(%)	24.3
Model coverage(%)	92.5
Normalized DOPE score	0.977

Structure Models from Chopin

Model Number	1
Profile	g.39.1.11 Click for model details
zscore	13.48
Residue begin
Residue end

Model Number	2
Profile	c.37.1.20 Click for model details
zscore	8.95
Residue begin	112
Residue end	311

Binding pockets

STRING

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

Protein interacting with Rv2457c	Gene name	Confidence Score
Rv2460c	clpP2	0.999
Rv2461c	clpP1	0.999
Rv2150c	ftsZ	0.996
Rv2150c	ftsZ	0.996
Rv3610c	ftsH	0.962
Rv3610c	ftsH	0.962
Rv3610c	ftsH	0.962
Rv2462c	tig	0.959
Rv2462c	tig	0.959
Rv2462c	tig	0.959
Rv2448c	valS	0.944
Rv2448c	valS	0.944
Rv2448c	valS	0.944
Rv0667	rpoB	0.943
Rv0667	rpoB	0.943
Rv0667	rpoB	0.943
Rv0667	rpoB	0.943
Rv0667	rpoB	0.943
Rv0667	rpoB	0.943
Rv0350	dnaK	0.921
Rv0384c	clpB	0.908
Rv0384c	clpB	0.908
Rv0384c	clpB	0.908
Rv0384c	clpB	0.908

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv2457c.1	6	1uwj_BAX_A_1723 PDB CREDO	0.695	0.084	0.640	0.001
Rv2457c.1	6	1t46_STI_A_3 PDB CREDO	0.662	0.113	0.628	0.001
Rv2457c.1	6	3bjw_SVR_E_503 PDB CREDO	0.636	0.138	0.619	0.001
Rv2457c.1	6	1xkk_FMM_A_91 PDB CREDO	0.683	0.094	0.614	0.002
Rv2457c.1	6	2qxs_RAL_A_600 PDB CREDO	0.607	0.170	0.607	0.002
Rv2457c.1	6	2qxs_RAL_B_600 PDB CREDO	0.606	0.172	0.606	0.002
Rv2457c.1	6	3b0w_DGX_B_1 PDB CREDO	0.636	0.139	0.602	0.002
Rv2457c.1	6	1uwj_BAX_B_1723 PDB CREDO	0.702	0.079	0.592	0.002
Rv2457c.1	6	2xkw_P1B_A_1478 PDB CREDO	0.666	0.109	0.584	0.003
Rv2457c.1	6	3cs9_NIL_B_600 PDB CREDO	0.581	0.203	0.581	0.003
Rv2457c.1	6	1uwh_BAX_A_1723 PDB CREDO	0.727	0.062	0.577	0.003
Rv2457c.1	6	3cs9_NIL_A_600 PDB CREDO	0.592	0.189	0.576	0.003
Rv2457c.1	6	1uwh_BAX_B_1723 PDB CREDO	0.724	0.063	0.575	0.003
Rv2457c.1	6	3bjw_SVR_F_502 PDB CREDO	0.639	0.136	0.574	0.003
Rv2457c.1	6	3sm2_478_A_126 PDB CREDO	0.672	0.104	0.574	0.003
Rv2457c.1	6	3bjw_SVR_H_504 PDB CREDO	0.638	0.136	0.574	0.003
Rv2457c.1	6	3bjw_SVR_B_501 PDB CREDO	0.636	0.139	0.572	0.003
Rv2457c.1	6	1opj_STI_A_3 PDB CREDO	0.586	0.197	0.570	0.004
Rv2457c.1	6	4asd_BAX_A_1500 PDB CREDO	0.673	0.103	0.568	0.004
Rv2457c.1	6	3cs9_NIL_C_600 PDB CREDO	0.599	0.180	0.568	0.004
Rv2457c.1	6	3gp0_NIL_A_1 PDB CREDO	0.615	0.162	0.567	0.004
Rv2457c.1	6	1opj_STI_B_4 PDB CREDO	0.582	0.201	0.566	0.004
Rv2457c.1	6	3frq_ERY_A_195 PDB CREDO	0.649	0.125	0.564	0.004
Rv2457c.1	6	3cs9_NIL_D_600 PDB CREDO	0.593	0.187	0.562	0.004
Rv2457c.1	6	3kk6_CEL_B_1701 PDB CREDO	0.558	0.233	0.558	0.004
Rv2457c.1	6	3b0w_DGX_A_1 PDB CREDO	0.659	0.115	0.556	0.005
Rv2457c.1	6	3k5v_STI_A_2 PDB CREDO	0.587	0.195	0.556	0.005
Rv2457c.1	6	3oez_STI_A_601 PDB CREDO	0.620	0.156	0.554	0.005
Rv2457c.1	6	1skx_RFP_A_1 PDB CREDO	0.552	0.242	0.552	0.005
Rv2457c.1	6	3pyy_STI_A_3 PDB CREDO	0.616	0.161	0.551	0.005
Rv2457c.1	6	3k5v_STI_B_2 PDB CREDO	0.615	0.162	0.550	0.005
Rv2457c.1	6	2hyy_STI_A_600 PDB CREDO	0.614	0.163	0.549	0.005
Rv2457c.1	6	3ms9_STI_B_1 PDB CREDO	0.613	0.163	0.548	0.005
Rv2457c.1	6	3mss_STI_C_1 PDB CREDO	0.613	0.163	0.548	0.005
Rv2457c.1	6	3mss_STI_B_1 PDB CREDO	0.613	0.164	0.548	0.005
Rv2457c.1	6	2hyy_STI_D_600 PDB CREDO	0.612	0.164	0.548	0.005
Rv2457c.1	6	3gcs_BAX_A_401 PDB CREDO	0.649	0.125	0.548	0.005
Rv2457c.1	6	3ms9_STI_A_1 PDB CREDO	0.612	0.164	0.548	0.005
Rv2457c.1	6	3mss_STI_D_1 PDB CREDO	0.612	0.164	0.548	0.005
Rv2457c.1	6	3pyy_STI_B_4 PDB CREDO	0.612	0.165	0.547	0.005
Rv2457c.1	6	1iep_STI_A_201 PDB CREDO	0.610	0.167	0.546	0.005
Rv2457c.1	6	3gvu_STI_A_1001 PDB CREDO	0.610	0.168	0.545	0.005
Rv2457c.1	6	3mss_STI_A_1 PDB CREDO	0.609	0.169	0.544	0.005
Rv2457c.1	6	1iep_STI_B_202 PDB CREDO	0.608	0.169	0.544	0.006
Rv2457c.1	6	1z2b_VLB_C_800 PDB CREDO	0.663	0.112	0.543	0.006
Rv2457c.1	6	2hyy_STI_C_600 PDB CREDO	0.607	0.171	0.543	0.006
Rv2457c.1	6	3heg_BAX_A_1 PDB CREDO	0.660	0.115	0.540	0.006
Rv2457c.1	6	1hwk_117_B_1 PDB CREDO	0.604	0.175	0.540	0.006
Rv2457c.1	6	2oiq_STI_A_1001 PDB CREDO	0.659	0.116	0.539	0.006
Rv2457c.1	6	3nxu_RIT_B_600 PDB CREDO	0.535	0.265	0.535	0.006
Rv2457c.1	6	1y0x_T44_X_500 PDB CREDO	0.673	0.103	0.535	0.006
Rv2457c.1	6	2hw2_RFP_A_1200 PDB CREDO	0.716	0.069	0.535	0.006
Rv2457c.1	6	3nxu_RIT_A_600 PDB CREDO	0.533	0.268	0.533	0.007
Rv2457c.1	6	3ufn_ROC_A_401 PDB CREDO	0.577	0.207	0.533	0.007
Rv2457c.1	6	2hyy_STI_B_600 PDB CREDO	0.651	0.124	0.533	0.007
Rv2457c.1	6	3h52_486_B_1 PDB CREDO	0.646	0.129	0.529	0.007
Rv2457c.1	6	3frq_ERY_B_195 PDB CREDO	0.708	0.075	0.528	0.007
Rv2457c.1	6	3kk6_CEL_A_701 PDB CREDO	0.587	0.195	0.528	0.007
Rv2457c.1	6	2v0z_C41_O_1327 PDB CREDO	0.572	0.215	0.528	0.007
Rv2457c.1	6	1sa1_POD_B_700 PDB CREDO	0.624	0.152	0.526	0.007
Rv2457c.1	6	1uob_PNN_A_1311 PDB CREDO	0.642	0.132	0.526	0.007
Rv2457c.1	6	2nni_MTK_A_501 PDB CREDO	0.605	0.173	0.526	0.007
Rv2457c.1	6	1xzx_T3_X_500 PDB CREDO	0.727	0.062	0.525	0.007
Rv2457c.1	6	3spk_TPV_B_100 PDB CREDO	0.604	0.175	0.524	0.008
Rv2457c.1	6	3d91_REM_A_350 PDB CREDO	0.619	0.157	0.522	0.008
Rv2457c.1	6	3el9_DR7_A_100 PDB CREDO	0.536	0.264	0.522	0.008
Rv2457c.1	6	3d91_REM_B_350 PDB CREDO	0.618	0.158	0.521	0.008
Rv2457c.1	6	3uvv_T3_A_501 PDB CREDO	0.720	0.066	0.521	0.008
Rv2457c.1	6	3h52_486_D_2 PDB CREDO	0.655	0.120	0.520	0.008
Rv2457c.1	6	2y6o_1N1_A_1892 PDB CREDO	0.717	0.068	0.519	0.008
Rv2457c.1	6	2pl0_STI_A_200 PDB CREDO	0.631	0.143	0.517	0.008
Rv2457c.1	6	3gws_T3_X_500 PDB CREDO	0.735	0.057	0.515	0.009
Rv2457c.1	6	1bsx_T3_A_1 PDB CREDO	0.735	0.057	0.514	0.009
Rv2457c.1	6	1bsx_T3_B_2 PDB CREDO	0.735	0.057	0.514	0.009
Rv2457c.1	6	2jfa_RAL_B_600 PDB CREDO	0.667	0.108	0.514	0.009
Rv2457c.1	6	3oez_STI_B_601 PDB CREDO	0.688	0.090	0.514	0.009
Rv2457c.1	6	1err_RAL_A_600 PDB CREDO	0.666	0.109	0.513	0.009
Rv2457c.1	6	1err_RAL_B_600 PDB CREDO	0.663	0.112	0.511	0.009
Rv2457c.1	6	1c6z_ROC_B_505 PDB CREDO	0.612	0.165	0.510	0.009
Rv2457c.1	6	1fm6_BRL_X_504 PDB CREDO	0.705	0.077	0.510	0.009
Rv2457c.1	6	1sa1_POD_D_701 PDB CREDO	0.621	0.155	0.508	0.010
Rv2457c.1	6	2w8y_486_A_1000 PDB CREDO	0.603	0.176	0.508	0.010
Rv2457c.1	6	3bjw_SVR_C_505 PDB CREDO	0.521	0.286	0.507	0.010
Rv2457c.1	6	2fxd_DR7_A_102 PDB CREDO	0.521	0.286	0.507	0.010
Rv2457c.1	6	1n49_RIT_B_301 PDB CREDO	0.518	0.291	0.504	0.010
Rv2457c.1	6	3h52_486_A_3 PDB CREDO	0.634	0.141	0.503	0.010
Rv2457c.1	6	2jfa_RAL_A_600 PDB CREDO	0.671	0.105	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
adenosine diphosphatePubChem	0.787	427.201
sulfatePubChem	0.708	96.0626
hydron sulfatePubChem	0.708	196.157
magnesiumPubChem	0.708	24.305