SInCRe - Rv0948c

Tuberculist information

Gene name	Rv0948c
Protein function	Chorismate mutase
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	1057.65
Molecular mass(da)	11770.6
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 105

	  		  	1    MRPEPPHHENAELAAMNLEMLESQPVPEIDTLREEIDRLDAEILALVKRRAEVSKAIGKA   60
			  	61   RMASGGTRLVHSREMKVIERYSELGPDGKDLAILLLRLGRGRLGH

Known structures in the PDB

	PDB ID	2QBV
	Total residue count	90
	Number of chains	1
	Method	X-RAY
	Resolution	2

	PDB ID	2VKL
	Total residue count	90
	Number of chains	1
	Method	X-RAY
	Resolution	1.65

	PDB ID	2W19
	Total residue count	1124
	Number of chains	4
	Method	X-RAY
	Resolution	2.15

	PDB ID	2W1A
	Total residue count	1124
	Number of chains	4
	Method	X-RAY
	Resolution	2.35

Number of amino acids : 105

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
CM_2	PF01817	33-93

Mtb Structural Proteome models

Model Number	1
Model name	Rv0948c_2vkl_A
Template	2VKL APDB CREDO
Template coverage	13_89
Template Identity(%)	100.0
Model coverage(%)	72.4
Normalized DOPE score	-1.002

Model Number	2
Model name	Rv0948c
Template	1YBZ APDB CREDO
Template coverage	1_72
Template Identity(%)	29.2
Model coverage(%)	71.4
Normalized DOPE score	-0.286

Structure Models from Chopin

Model Number	1
Profile	a.130.1.1 - 1.20.59.10 Click for model details
zscore	11.23
Residue begin	20
Residue end	105

Binding pockets

STRING

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

Protein interacting with Rv0948c	Gene name	Confidence Score
Rv2178c	aroG	0.983

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv0948c_2vkl_A	4	3gcs_BAX_A_401 PDB CREDO	0.666	0.109	0.647	0.001
Rv0948c_2vkl_A	4	3oez_STI_A_601 PDB CREDO	0.633	0.142	0.615	0.002
Rv0948c_2vkl_A	4	3hec_STI_A_1 PDB CREDO	0.709	0.074	0.609	0.002
Rv0948c_2vkl_A	4	3heg_BAX_A_1 PDB CREDO	0.646	0.129	0.609	0.002
Rv0948c_2vkl_A	4	3rgf_BAX_A_465 PDB CREDO	0.641	0.133	0.605	0.002
Rv0948c_2vkl_A	4	2hyy_STI_B_600 PDB CREDO	0.639	0.136	0.602	0.002
Rv0948c_2vkl_A	4	2hyy_STI_D_600 PDB CREDO	0.611	0.166	0.593	0.002
Rv0948c_2vkl_A	4	3k5v_STI_B_2 PDB CREDO	0.611	0.166	0.593	0.002
Rv0948c_2vkl_A	4	2hyy_STI_A_600 PDB CREDO	0.610	0.167	0.593	0.002
Rv0948c_2vkl_A	4	1iep_STI_B_202 PDB CREDO	0.610	0.168	0.592	0.002
Rv0948c_2vkl_A	4	3ms9_STI_A_1 PDB CREDO	0.610	0.168	0.592	0.002
Rv0948c_2vkl_A	4	3ms9_STI_B_1 PDB CREDO	0.609	0.169	0.591	0.002
Rv0948c_2vkl_A	4	3mss_STI_A_1 PDB CREDO	0.609	0.169	0.591	0.002
Rv0948c_2vkl_A	4	3mss_STI_B_1 PDB CREDO	0.609	0.169	0.591	0.002
Rv0948c_2vkl_A	4	1iep_STI_A_201 PDB CREDO	0.608	0.169	0.591	0.002
Rv0948c_2vkl_A	4	3mss_STI_C_1 PDB CREDO	0.608	0.169	0.591	0.002
Rv0948c_2vkl_A	4	4asd_BAX_A_1500 PDB CREDO	0.608	0.170	0.590	0.003
Rv0948c_2vkl_A	4	3mss_STI_D_1 PDB CREDO	0.607	0.171	0.590	0.003
Rv0948c_2vkl_A	4	3pyy_STI_B_4 PDB CREDO	0.607	0.171	0.589	0.003
Rv0948c_2vkl_A	4	3oez_STI_B_601 PDB CREDO	0.685	0.093	0.588	0.003
Rv0948c_2vkl_A	4	3gvu_STI_A_1001 PDB CREDO	0.605	0.173	0.588	0.003
Rv0948c_2vkl_A	4	3pyy_STI_A_3 PDB CREDO	0.604	0.174	0.587	0.003
Rv0948c_2vkl_A	4	2hyy_STI_C_600 PDB CREDO	0.603	0.176	0.586	0.003
Rv0948c_2vkl_A	4	2oiq_STI_A_1001 PDB CREDO	0.620	0.156	0.584	0.003
Rv0948c_2vkl_A	4	1opj_STI_B_4 PDB CREDO	0.643	0.132	0.574	0.003
Rv0948c_2vkl_A	4	2pl0_STI_A_200 PDB CREDO	0.607	0.170	0.572	0.003
Rv0948c_2vkl_A	4	3k5v_STI_A_2 PDB CREDO	0.622	0.153	0.571	0.004
Rv0948c_2vkl_A	4	1opj_STI_A_3 PDB CREDO	0.639	0.135	0.571	0.004
Rv0948c_2vkl_A	4	2z54_AB1_A_200 PDB CREDO	0.570	0.216	0.570	0.004
Rv0948c_2vkl_A	4	3gp0_NIL_A_1 PDB CREDO	0.708	0.074	0.568	0.004
Rv0948c_2vkl_A	4	2b7z_MK1_B_200 PDB CREDO	0.581	0.202	0.565	0.004
Rv0948c_2vkl_A	4	2o4p_TPV_A_300 PDB CREDO	0.564	0.225	0.564	0.004
Rv0948c_2vkl_A	4	2o4n_TPV_A_300 PDB CREDO	0.614	0.162	0.562	0.004
Rv0948c_2vkl_A	4	3cs9_NIL_A_600 PDB CREDO	0.629	0.146	0.561	0.004
Rv0948c_2vkl_A	4	2jfa_RAL_B_600 PDB CREDO	0.625	0.150	0.554	0.005
Rv0948c_2vkl_A	4	2bpx_MK1_B_902 PDB CREDO	0.604	0.175	0.554	0.005
Rv0948c_2vkl_A	4	2qhc_AB1_B_9001 PDB CREDO	0.587	0.195	0.554	0.005
Rv0948c_2vkl_A	4	2jfa_RAL_A_600 PDB CREDO	0.643	0.131	0.553	0.005
Rv0948c_2vkl_A	4	3cs9_NIL_C_600 PDB CREDO	0.671	0.105	0.552	0.005
Rv0948c_2vkl_A	4	1err_RAL_B_600 PDB CREDO	0.621	0.155	0.550	0.005
Rv0948c_2vkl_A	4	1err_RAL_A_600 PDB CREDO	0.620	0.156	0.550	0.005
Rv0948c_2vkl_A	1	4dta_ADN_A_401 PDB CREDO	0.549	0.245	0.549	0.005
Rv0948c_2vkl_A	6	3l7k_EDT_D_735 PDB CREDO	0.549	0.245	0.549	0.005
Rv0948c_2vkl_A	1	3r9c_ECL_A_452 PDB CREDO	0.625	0.150	0.549	0.005
Rv0948c_2vkl_A	4	1d4y_TPV_A_501 PDB CREDO	0.600	0.179	0.549	0.005
Rv0948c_2vkl_A	4	3cs9_NIL_D_600 PDB CREDO	0.666	0.109	0.548	0.005
Rv0948c_2vkl_A	4	3cs9_NIL_B_600 PDB CREDO	0.626	0.149	0.544	0.006
Rv0948c_2vkl_A	4	3ebz_017_B_201 PDB CREDO	0.528	0.276	0.528	0.007
Rv0948c_2vkl_A	4	3em4_DR7_A_100 PDB CREDO	0.624	0.152	0.527	0.007
Rv0948c_2vkl_A	4	1sdv_MK1_B_902 PDB CREDO	0.640	0.135	0.527	0.007
Rv0948c_2vkl_A	4	3oy4_017_B_200 PDB CREDO	0.526	0.278	0.526	0.007
Rv0948c_2vkl_A	4	2fxd_DR7_A_102 PDB CREDO	0.619	0.157	0.523	0.008
Rv0948c_2vkl_A	4	3v5w_8PR_A_701 PDB CREDO	0.646	0.129	0.520	0.008
Rv0948c_2vkl_A	4	2rkg_AB1_B_501 PDB CREDO	0.566	0.223	0.517	0.008
Rv0948c_2vkl_A	4	1hsg_MK1_B_902 PDB CREDO	0.609	0.168	0.515	0.009
Rv0948c_2vkl_A	4	1mui_AB1_B_100 PDB CREDO	0.561	0.228	0.513	0.009
Rv0948c_2vkl_A	4	2r5q_1UN_D_900 PDB CREDO	0.512	0.299	0.512	0.009
Rv0948c_2vkl_A	4	1hsh_MK1_A_401 PDB CREDO	0.605	0.173	0.511	0.009
Rv0948c_2vkl_A	4	2qxs_RAL_A_600 PDB CREDO	0.589	0.193	0.511	0.009
Rv0948c_2vkl_A	4	2r5q_1UN_B_900 PDB CREDO	0.511	0.301	0.511	0.009
Rv0948c_2vkl_A	4	2r5p_MK1_B_902 PDB CREDO	0.653	0.122	0.510	0.009
Rv0948c_2vkl_A	4	2qxs_RAL_B_600 PDB CREDO	0.587	0.195	0.509	0.009
Rv0948c_2vkl_A	4	3t3c_017_A_201 PDB CREDO	0.587	0.195	0.509	0.009
Rv0948c_2vkl_A	4	2r5p_MK1_D_902 PDB CREDO	0.651	0.124	0.508	0.010
Rv0948c_2vkl_A	1	4dt8_ADN_A_401 PDB CREDO	0.507	0.307	0.507	0.010
Rv0948c_2vkl_A	4	4dqe_017_B_101 PDB CREDO	0.537	0.263	0.507	0.010
Rv0948c_2vkl_A	4	1hsh_MK1_C_402 PDB CREDO	0.599	0.180	0.506	0.010
Rv0948c_2vkl_A	4	3em4_DR7_V_100 PDB CREDO	0.647	0.127	0.506	0.010
Rv0948c_2vkl_A	4	1y4l_SVR_B_301 PDB CREDO	0.521	0.287	0.506	0.010
Rv0948c_2vkl_A	4	3el9_DR7_A_100 PDB CREDO	0.598	0.182	0.505	0.010
Rv0948c_2vkl_A	4	3eky_DR7_A_100 PDB CREDO	0.646	0.128	0.505	0.010
Rv0948c_2vkl_A	4	1sgu_MK1_B_2632 PDB CREDO	0.519	0.289	0.504	0.010
Rv0948c_2vkl_A	4	2b60_RIT_B_100 PDB CREDO	0.627	0.148	0.503	0.010
Rv0948c_2vkl_A	4	2fxe_DR7_A_102 PDB CREDO	0.643	0.131	0.502	0.011
Rv0948c_2vkl_A	4	3ogp_017_A_200 PDB CREDO	0.533	0.269	0.502	0.011
Rv0948c_2vkl_A	4	3nu9_478_A_401 PDB CREDO	0.545	0.251	0.500	0.011

Similarity to known drug target from sensitive sequence analysis

No drug targets

List of small molecules tested from TIBLE

View results in TIBLE page

Name	Affinity	Assay description	DOI
CHEMBL1938813	IC50 < 10 uM	Inhibition of Mycobacterium tuberculosis chorismate mutase using chorismate substrate in dose response study by spectrophotometry	http://www.ncbi.nlm.nih.gov/pubmed/22863527
CHEMBL2071366	Inhibition = 35.6 %	Inhibition of Mycobacterium tuberculosis chorismate mutase at 50 uM using chorismate substrate by spectrophotometry	http://www.ncbi.nlm.nih.gov/pubmed/22863527
CHEMBL2071367	Inhibition = 12.8 %	Inhibition of Mycobacterium tuberculosis chorismate mutase at 50 uM using chorismate substrate by spectrophotometry	http://www.ncbi.nlm.nih.gov/pubmed/22863527
CHEMBL2071368	Inhibition = 47 %	Inhibition of Mycobacterium tuberculosis chorismate mutase at 50 uM using chorismate substrate by spectrophotometry	http://www.ncbi.nlm.nih.gov/pubmed/22863527
CHEMBL2071368	IC50 = 19.8 uM	Inhibition of Mycobacterium tuberculosis chorismate mutase using chorismate substrate in dose response study by spectrophotometry	http://www.ncbi.nlm.nih.gov/pubmed/22863527
CHEMBL2071368	Dose-dependent effect	Inhibition of Mycobacterium tuberculosis chorismate mutase using chorismate substrate in dose response study by spectrophotometry	http://www.ncbi.nlm.nih.gov/pubmed/22863527
CHEMBL2071369	Inhibition = 42.5 %	Inhibition of Mycobacterium tuberculosis chorismate mutase at 50 uM using chorismate substrate by spectrophotometry	http://www.ncbi.nlm.nih.gov/pubmed/22863527
CHEMBL2071370	Inhibition = 45.3 %	Inhibition of Mycobacterium tuberculosis chorismate mutase at 50 uM using chorismate substrate by spectrophotometry	http://www.ncbi.nlm.nih.gov/pubmed/22863527
CHEMBL2071371	Inhibition = 33 %	Inhibition of Mycobacterium tuberculosis chorismate mutase at 50 uM using chorismate substrate by spectrophotometry	http://www.ncbi.nlm.nih.gov/pubmed/22863527
CHEMBL2071372	Inhibition = 37.2 %	Inhibition of Mycobacterium tuberculosis chorismate mutase at 50 uM using chorismate substrate by spectrophotometry	http://www.ncbi.nlm.nih.gov/pubmed/22863527
CHEMBL2071373	Dose-dependent effect	Inhibition of Mycobacterium tuberculosis chorismate mutase using chorismate substrate in dose response study by spectrophotometry	http://www.ncbi.nlm.nih.gov/pubmed/22863527
CHEMBL2071373	IC50 = 23.88 uM	Inhibition of Mycobacterium tuberculosis chorismate mutase using chorismate substrate in dose response study by spectrophotometry	http://www.ncbi.nlm.nih.gov/pubmed/22863527
CHEMBL2071373	Inhibition = 49.9 %	Inhibition of Mycobacterium tuberculosis chorismate mutase at 50 uM using chorismate substrate by spectrophotometry	http://www.ncbi.nlm.nih.gov/pubmed/22863527
CHEMBL2071374	Inhibition = 13 %	Inhibition of Mycobacterium tuberculosis chorismate mutase at 50 uM using chorismate substrate by spectrophotometry	http://www.ncbi.nlm.nih.gov/pubmed/22863527
CHEMBL2071375	Inhibition = 14.6 %	Inhibition of Mycobacterium tuberculosis chorismate mutase at 50 uM using chorismate substrate by spectrophotometry	http://www.ncbi.nlm.nih.gov/pubmed/22863527
CHEMBL2071376	Inhibition = 17.7 %	Inhibition of Mycobacterium tuberculosis chorismate mutase at 50 uM using chorismate substrate by spectrophotometry	http://www.ncbi.nlm.nih.gov/pubmed/22863527
CHEMBL2071377	Inhibition = 36.2 %	Inhibition of Mycobacterium tuberculosis chorismate mutase at 50 uM using chorismate substrate by spectrophotometry	http://www.ncbi.nlm.nih.gov/pubmed/22863527
CHEMBL2071378	Inhibition = 12.6 %	Inhibition of Mycobacterium tuberculosis chorismate mutase at 50 uM using chorismate substrate by spectrophotometry	http://www.ncbi.nlm.nih.gov/pubmed/22863527

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
1FigPubChem	0.979	228.199
endo-oxabicyclicPubChem	0.979	228.199
malatePubChem	0.9	134.087
sulfatePubChem	0.9	96.0626
manganesePubChem	0.9	54.938
D-malatePubChem	0.9	134.087
hydron sulfatePubChem	0.9	196.157
glycerolPubChem	0.9	92.0938
tetraethylene glycolPubChem	0.9	194.226
C12E8PubChem	0.9	538.755