SInCRe - Rv1536

Tuberculist information

Gene name	ileS
Protein function	Isoleucyl-tRNA synthetase IleS
Functional category(tuberculist)	information pathways
Gene location(kb)	1736.52
Molecular mass(da)	117308
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 1041

	  		  	1    VTDNAYPKLAGGAPDLPALELEVLDYWSRDDTFRASIARRDGAPEYVFYDGPPFANGLPH   60
			  	61   YGHLLTGYVKDIVPRYRTMRGYKVERRFGWDTHGLPAELEVERQLGITDKSQIEAMGIAA  120
			  	121  FNDACRASVLRYTDEWQAYVTRQARWVDFDNDYKTLDLAYMESVIWAFKQLWDKGLAYEG  180
			  	181  YRVLPYCWRDETPLSNHELRMDDDVYQSRQDPAVTVGFKVVGGQPDNGLDGAYLLVWTTT  240
			  	241  PWTLPSNLAVAVSPDITYVQVQAGDRRFVLAEARLAAYARELGEEPVVLGTYRGAELLGT  300
			  	301  RYLPPFAYFMDWPNAFQVLAGDFVTTDDGTGIVHMAPAYGEDDMVVAEAVGIAPVTPVDS  360
			  	361  KGRFDVTVADYQGQHVFDANAQIVRDLKTQSGPAAVNGPVLIRHETYEHPYPHCWRCRNP  420
			  	421  LIYRSVSSWFVRVTDFRDRMVELNQQITWYPEHVKDGQFGKWLQGARDWSISRNRYWGTP  480
			  	481  IPVWKSDDPAYPRIDVYGSLDELERDFGVRPANLHRPYIDELTRPNPDDPTGRSTMRRIP  540
			  	541  DVLDVWFDSGSMPYAQVHYPFENLDWFQGHYPGDFIVEYIGQTRGWFYTLHVLATALFDR  600
			  	601  PAFKTCVAHGIVLGFDGQKMSKSLRNYPDVTEVFDRDGSDAMRWFLMASPILRGGNLIVT  660
			  	661  EQGIRDGVRQVLLPLWNTYSFLALYAPKVGTWRVDSVHVLDRYILAKLAVLRDDLSESME  720
			  	721  VYDIPGACEHLRQFTEALTNWYVRRSRSRFWAEDADAIDTLHTVLEVTTRLAAPLLPLIT  780
			  	781  EIIWRGLTRERSVHLTDWPAPDLLPSDADLVAAMDQVRDVCSAASSLRKAKKLRVRLPLP  840
			  	841  KLIVAVENPQLLRPFVDLIGDELNVKQVELTDAIDTYGRFELTVNARVAGPRLGKDVQAA  900
			  	901  IKAVKAGDGVINPDGTLLAGPAVLTPDEYNSRLVAADPESTAALPDGAGLVVLDGTVTAE  960
			  	961  LEAEGWAKDRIRELQELRKSTGLDVSDRIRVVMSVPAEREDWARTHRDLIAGEILATDFE 1020
			  	1021 FADLADGVAIGDGVRVSIEKT

Known structures in the PDB

No Known structures

Number of amino acids : 1041

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
tRNA-synt_1	PF00133	22-657
Anticodon_1	PF08264	701-844

Mtb Structural Proteome models

Model Number	1
Model name	Rv1536
Template	1ILE APDB CREDO
Template coverage	3_821
Template Identity(%)	42.7
Model coverage(%)	79.2
Normalized DOPE score	-0.579

Model Number	2
Model name	Rv1536.1
Template	1GAX APDB CREDO
Template coverage	2_862
Template Identity(%)	24.7
Model coverage(%)	92.2
Normalized DOPE score	0.39

Structure Models from Chopin

Model Number	1
Profile	a.27.1.1, b.51.1.1 - 1.10.730.10, 3.40.50.620, 3.90.740.10 Click for model details
zscore	89.43
Residue begin	1
Residue end	1041

Model Number	2
Profile	1.10.730.10, 3.40.50.620, 3.90.740.10 Click for model details
zscore	55.14
Residue begin	14
Residue end	788

Model Number	3
Profile	b.51.1.1 Click for model details
zscore	33.92
Residue begin	205
Residue end	412

Model Number	4
Profile	a.27.1.1, c.26.1.1 - 1.10.730.10, 2.170.220.10, 3.40.50.620 Click for model details
zscore	21.78
Residue begin	313
Residue end	820

Model Number	5
Profile	a.27.1.1 Click for model details
zscore	14.84
Residue begin	657
Residue end	833

Binding pockets

STRING

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

Protein interacting with Rv1536	Gene name	Confidence Score
Rv2614c	thrS	0.987
Rv2614c	thrS	0.987
Rv2614c	thrS	0.987
Rv2555c	alaS	0.979
Rv2555c	alaS	0.979
Rv2555c	alaS	0.979
Rv3834c	serS	0.972
Rv3834c	serS	0.972
Rv1689	tyrS	0.971
Rv3598c	lysS	0.971
Rv3598c	lysS	0.971
Rv1689	tyrS	0.971
Rv2210c	ilvE	0.971
Rv2357c	glyS	0.968
Rv2357c	glyS	0.968
Rv1699	pyrG	0.967
Rv1699	pyrG	0.967
Rv3396c	guaA	0.944
Rv3396c	guaA	0.944
Rv3396c	guaA	0.944
Rv2786c	ribF	0.94
Rv2786c	ribF	0.94
Rv1649	pheS	0.94
Rv1649	pheS	0.94
Rv1023	eno	0.939
Rv1023	eno	0.939
Rv3336c	trpS	0.936
Rv0684	fusA1	0.923
Rv0684	fusA1	0.923
Rv1539	lspA	0.923
Rv0684	fusA1	0.923
Rv0684	fusA1	0.923
Rv0684	fusA1	0.923
Rv1392	metK	0.922
Rv1392	metK	0.922
Rv1392	metK	0.922
Rv2150c	ftsZ	0.918
Rv2150c	ftsZ	0.918
Rv2992c	gltS	0.915
Rv2580c	hisS	0.914
Rv2580c	hisS	0.914
Rv1383	carA	0.913
Rv1383	carA	0.913
Rv0704	rplB	0.911
Rv0704	rplB	0.911
Rv2404c	lepA	0.909
Rv2404c	lepA	0.909
Rv2404c	lepA	0.909
Rv2165c	Rv2165c	0.909
Rv2404c	lepA	0.909

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv1536.1	3	1hwi_115_A_2 PDB CREDO	0.597	0.183	0.577	0.003
Rv1536.1	3	1hwi_115_D_3 PDB CREDO	0.613	0.164	0.575	0.003
Rv1536.1	3	1hwk_117_D_3 PDB CREDO	0.647	0.128	0.570	0.004
Rv1536.1	3	1hwi_115_B_1 PDB CREDO	0.606	0.172	0.568	0.004
Rv1536.1	46	2gqg_1N1_B_502 PDB CREDO	0.566	0.222	0.566	0.004
Rv1536.1	46	2fum_MIX_D_3539 PDB CREDO	0.602	0.177	0.563	0.004
Rv1536.1	7	1uob_PNN_A_1311 PDB CREDO	0.577	0.207	0.560	0.004
Rv1536.1	3	1hwi_115_C_4 PDB CREDO	0.641	0.134	0.560	0.004
Rv1536.1	3	1hwl_FBI_C_4 PDB CREDO	0.655	0.120	0.560	0.004
Rv1536.1	3	1hwl_FBI_A_2 PDB CREDO	0.654	0.120	0.559	0.004
Rv1536.1	46	3tne_RIT_A_401 PDB CREDO	0.614	0.162	0.558	0.004
Rv1536.1	3	1hwl_FBI_B_1 PDB CREDO	0.648	0.126	0.554	0.005
Rv1536.1	46	1kij_NOV_A_400 PDB CREDO	0.593	0.188	0.554	0.005
Rv1536.1	3	1hwk_117_C_4 PDB CREDO	0.665	0.110	0.552	0.005
Rv1536.1	3	1hwl_FBI_D_3 PDB CREDO	0.645	0.129	0.552	0.005
Rv1536.1	46	3tne_RIT_B_401 PDB CREDO	0.608	0.170	0.552	0.005
Rv1536.1	46	2fum_MIX_A_539 PDB CREDO	0.649	0.125	0.546	0.005
Rv1536.1	3	1hwk_117_A_2 PDB CREDO	0.658	0.117	0.546	0.005
Rv1536.1	46	2x9g_LYA_B_1270 PDB CREDO	0.563	0.226	0.545	0.005
Rv1536.1	46	2x9g_LYA_A_1270 PDB CREDO	0.578	0.206	0.542	0.006
Rv1536.1	3	2a69_RPT_M_8002 PDB CREDO	0.576	0.209	0.539	0.006
Rv1536.1	7	1uwj_BAX_B_1723 PDB CREDO	0.539	0.259	0.539	0.006
Rv1536.1	46	2y6o_1N1_A_1892 PDB CREDO	0.573	0.213	0.537	0.006
Rv1536.1	46	3oct_1N1_A_663 PDB CREDO	0.589	0.192	0.532	0.007
Rv1536.1	46	3k54_1N1_A_1 PDB CREDO	0.655	0.119	0.532	0.007
Rv1536.1	46	3kw2_ADN_A_300 PDB CREDO	0.680	0.097	0.532	0.007
Rv1536.1	46	2x9g_LYA_D_1270 PDB CREDO	0.588	0.194	0.531	0.007
Rv1536.1	46	1qkn_RAL_A_600 PDB CREDO	0.546	0.249	0.529	0.007
Rv1536.1	46	2x9g_LYA_C_1270 PDB CREDO	0.584	0.199	0.527	0.007
Rv1536.1	14	2v0z_C41_O_1327 PDB CREDO	0.555	0.238	0.526	0.007
Rv1536.1	46	1uwh_BAX_A_1723 PDB CREDO	0.616	0.161	0.525	0.007
Rv1536.1	46	1lhu_EST_A_301 PDB CREDO	0.602	0.176	0.525	0.007
Rv1536.1	46	2gqg_1N1_A_501 PDB CREDO	0.624	0.151	0.525	0.007
Rv1536.1	46	1uwh_BAX_B_1723 PDB CREDO	0.614	0.162	0.524	0.008
Rv1536.1	37	3kw2_ADN_A_300 PDB CREDO	0.523	0.282	0.523	0.008
Rv1536.1	7	1uwj_BAX_A_1723 PDB CREDO	0.570	0.216	0.523	0.008
Rv1536.1	14	1uwj_BAX_A_1723 PDB CREDO	0.582	0.201	0.521	0.008
Rv1536.1	3	1hwk_117_B_1 PDB CREDO	0.665	0.110	0.521	0.008
Rv1536.1	3	1ynn_RFP_C_1120 PDB CREDO	0.640	0.135	0.521	0.008
Rv1536.1	46	1lhv_NOG_A_301 PDB CREDO	0.555	0.238	0.520	0.008
Rv1536.1	7	2vn1_FK5_A_501 PDB CREDO	0.595	0.185	0.516	0.009
Rv1536.1	46	1uwj_BAX_B_1723 PDB CREDO	0.640	0.135	0.514	0.009
Rv1536.1	14	3pww_ROC_A_1001 PDB CREDO	0.526	0.279	0.512	0.009
Rv1536.1	3	2a68_RBT_C_8001 PDB CREDO	0.628	0.147	0.511	0.009
Rv1536.1	14	2v0z_C41_C_1328 PDB CREDO	0.581	0.202	0.510	0.009
Rv1536.1	46	1kij_NOV_B_444 PDB CREDO	0.678	0.099	0.510	0.009
Rv1536.1	46	2ya7_ZMR_C_1776 PDB CREDO	0.545	0.251	0.510	0.009
Rv1536.1	46	2ya7_ZMR_A_1776 PDB CREDO	0.545	0.251	0.509	0.009
Rv1536.1	7	3ua1_08Y_A_600 PDB CREDO	0.594	0.186	0.509	0.009
Rv1536.1	46	1etr_MIT_H_1 PDB CREDO	0.524	0.282	0.507	0.010
Rv1536.1	37	4eyb_0WO_B_301 PDB CREDO	0.526	0.278	0.507	0.010
Rv1536.1	46	2jfa_RAL_A_600 PDB CREDO	0.557	0.234	0.506	0.010
Rv1536.1	7	3pyy_STI_A_3 PDB CREDO	0.536	0.265	0.505	0.010
Rv1536.1	46	3nrr_D16_B_520 PDB CREDO	0.559	0.232	0.505	0.010
Rv1536.1	46	3oez_STI_B_601 PDB CREDO	0.556	0.236	0.504	0.010
Rv1536.1	46	3tkd_CYZ_A_266 PDB CREDO	0.555	0.237	0.504	0.010
Rv1536.1	7	2hyy_STI_B_600 PDB CREDO	0.518	0.290	0.503	0.010
Rv1536.1	46	2ya7_ZMR_B_1776 PDB CREDO	0.537	0.263	0.502	0.011
Rv1536.1	46	3apw_DP0_A_190 PDB CREDO	0.502	0.316	0.502	0.011
Rv1536.1	37	2kce_D16_A_566 PDB CREDO	0.520	0.288	0.500	0.011

Similarity to known drug target from sensitive sequence analysis

DrugBank ID	Drug Name
DB00410DrugBank	Mupirocin

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
mupirocinPubChem	0.949	500.622
L-isoleucinePubChem	0.949	131.173
BAY 10-8888PubChem	0.814	141.168
(1R,2S)-2-aminocyclopentane-1-carboxylic acidPubChem	0.805	129.157
L-valinePubChem	0.752	117.146
zincPubChem	0.743	65.409