SInCRe - Rv1689

Tuberculist information

Gene name	tyrS
Protein function	Probable tyrosyl-tRNA synthase TyrS (TYRRS)
Functional category(tuberculist)	information pathways
Gene location(kb)	1913.6
Molecular mass(da)	46330.4
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 424

	  		  	1    MSGMILDELSWRGLIAQSTDLDTLAAEAQRGPMTVYAGFDPTAPSLHAGHLVPLLTLRRF   60
			  	61   QRAGHRPIVLAGGATGMIGDPRDVGERSLNEADTVAEWTERIRGQLERFVDFDDSPMGAI  120
			  	121  VENNLEWTGSLSAIEFLRDIGKHFSVNVMLARDTIRRRLAGEGISYTEFSYLLLQANDYV  180
			  	181  ELHRRHGCTLQIGGADQWGNIIAGVRLVRQKLGATVHALTVPLVTAADGTKFGKSTGGGS  240
			  	241  LWLDPQMTSPYAWYQYFVNTADADVIRYLRWFTFLSADELAELEQATAQRPQQRAAQRRL  300
			  	301  ASELTVLVHGEAATAAVEHASRALFGRGELARLDEATLAAALRETTVAELKPGSPDGIVD  360
			  	361  LLVASGLSASKGAARRTIHEGGVSVNNIRVDNEEWVPQSSDFLHGRWLVLRRGKRSIAGV  420
			  	421  ERIG

Known structures in the PDB

	PDB ID	2JAN
	Total residue count	1728
	Number of chains	4
	Method	X-RAY
	Resolution	2.9

Number of amino acids : 424

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_1b	PF00579	28-326
S4	PF01479	356-403

Mtb Structural Proteome models

Model Number	1
Model name	Rv1689_2jan_A
Template	2JAN APDB CREDO
Template coverage	5_423
Template Identity(%)	100.0
Model coverage(%)	98.6
Normalized DOPE score	-1.184

Model Number	2
Model name	Rv1689
Template	2TS1 APDB CREDO
Template coverage	3_319
Template Identity(%)	55.2
Model coverage(%)	74.5
Normalized DOPE score	-1.182

Model Number	3
Model name	Rv1689.2
Template	1H3F APDB CREDO
Template coverage	13_430
Template Identity(%)	24.9
Model coverage(%)	97.6
Normalized DOPE score	0.278

Structure Models from Chopin

Model Number	1
Profile	d.66.1.4 - 3.10.290.10 Click for model details
zscore	19.28
Residue begin	324
Residue end	423

Model Number	2
Profile	c.26.1.1 Click for model details
zscore	12.78
Residue begin	1
Residue end	400

Binding pockets

STRING

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

Protein interacting with Rv1689	Gene name	Confidence Score
Rv3336c	trpS	0.993
Rv2357c	glyS	0.982
Rv2357c	glyS	0.982
Rv2614c	thrS	0.981
Rv2614c	thrS	0.981
Rv2614c	thrS	0.981
Rv2992c	gltS	0.977
Rv1536	ileS	0.971
Rv1536	ileS	0.971
Rv1688	mpg	0.968
Rv0041	leuS	0.966
Rv0041	leuS	0.966
Rv0041	leuS	0.966
Rv2607	pdxH	0.963
Rv2607	pdxH	0.963
Rv1315	murA	0.962
Rv1007c	metS	0.961
Rv1292	argS	0.959
Rv1292	argS	0.959
Rv1292	argS	0.959
Rv2572c	aspS	0.955
Rv2572c	aspS	0.955
Rv2572c	aspS	0.955
Rv1649	pheS	0.949
Rv1649	pheS	0.949
Rv2448c	valS	0.939
Rv2448c	valS	0.939
Rv2448c	valS	0.939
Rv2580c	hisS	0.929
Rv2580c	hisS	0.929
Rv2889c	tsf	0.928
Rv2889c	tsf	0.928
Rv1010	ksgA	0.924
Rv2916c	ffh	0.922
Rv2916c	ffh	0.922
Rv2916c	ffh	0.922
Rv2839c	infB	0.919
Rv2904c	rplS	0.919
Rv2839c	infB	0.919
Rv2839c	infB	0.919
Rv2839c	infB	0.919
Rv0667	rpoB	0.91
Rv0667	rpoB	0.91
Rv0667	rpoB	0.91
Rv0667	rpoB	0.91
Rv0667	rpoB	0.91
Rv0667	rpoB	0.91
Rv3834c	serS	0.909
Rv3834c	serS	0.909
Rv3598c	lysS	0.906
Rv3598c	lysS	0.906
Rv0684	fusA1	0.905
Rv0684	fusA1	0.905
Rv0684	fusA1	0.905
Rv0684	fusA1	0.905
Rv0684	fusA1	0.905
Rv2427c	proA	0.903

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv1689.2	8	2ij7_TPF_F_2474 PDB CREDO	0.674	0.102	0.644	0.001
Rv1689.2	8	2ij7_TPF_A_2472 PDB CREDO	0.675	0.101	0.614	0.002
Rv1689.2	8	2ij7_TPF_D_2473 PDB CREDO	0.670	0.106	0.610	0.002
Rv1689.2	8	2ij7_TPF_B_2470 PDB CREDO	0.666	0.110	0.606	0.002
Rv1689.2	8	1jip_KTN_A_801 PDB CREDO	0.721	0.066	0.580	0.003
Rv1689.2	8	1udu_CIA_B_2003 PDB CREDO	0.661	0.114	0.578	0.003
Rv1689.2	8	1z9h_IMN_A_379 PDB CREDO	0.658	0.117	0.575	0.003
Rv1689.2	8	1z9h_IMN_D_476 PDB CREDO	0.658	0.117	0.575	0.003
Rv1689.2	8	1z9h_IMN_C_379 PDB CREDO	0.656	0.118	0.574	0.003
Rv1689.2	8	1z9h_IMN_B_381 PDB CREDO	0.655	0.119	0.574	0.003
Rv1689.2	8	1udu_CIA_A_1003 PDB CREDO	0.630	0.145	0.573	0.003
Rv1689.2	8	2w9h_TOP_A_1160 PDB CREDO	0.572	0.214	0.572	0.003
Rv1689.2	8	3mdv_CL6_A_506 PDB CREDO	0.572	0.214	0.572	0.003
Rv1689.2	23	1sxk_BHA_A_251 PDB CREDO	0.571	0.215	0.571	0.004
Rv1689.2	8	1udt_VIA_A_1000 PDB CREDO	0.597	0.182	0.571	0.004
Rv1689.2	8	3tbg_RTZ_A_2 PDB CREDO	0.626	0.149	0.570	0.004
Rv1689.2	8	2w9s_TOP_F_1159 PDB CREDO	0.592	0.189	0.566	0.004
Rv1689.2	3	2xn7_T44_A_1355 PDB CREDO	0.565	0.224	0.565	0.004
Rv1689.2	3	1jip_KTN_A_801 PDB CREDO	0.588	0.194	0.564	0.004
Rv1689.2	8	1kvl_CLS_A_371 PDB CREDO	0.589	0.193	0.563	0.004
Rv1689.2	3	2xn5_FUN_A_1356 PDB CREDO	0.562	0.227	0.562	0.004
Rv1689.2	8	3mdt_VOR_B_506 PDB CREDO	0.757	0.044	0.562	0.004
Rv1689.2	15	3g5d_1N1_B_1 PDB CREDO	0.560	0.230	0.560	0.004
Rv1689.2	8	1uho_VDN_A_1000 PDB CREDO	0.668	0.107	0.560	0.004
Rv1689.2	3	3sxr_1N1_B_2 PDB CREDO	0.560	0.230	0.560	0.004
Rv1689.2	8	1bx4_ADN_A_350 PDB CREDO	0.611	0.166	0.558	0.004
Rv1689.2	8	3tbg_RTZ_C_2 PDB CREDO	0.613	0.163	0.558	0.004
Rv1689.2	15	3ti1_B49_A_299 PDB CREDO	0.557	0.234	0.557	0.004
Rv1689.2	8	3uq6_ADN_B_401 PDB CREDO	0.581	0.202	0.555	0.005
Rv1689.2	15	3qlg_1N1_B_601 PDB CREDO	0.554	0.239	0.554	0.005
Rv1689.2	8	3uq6_ADN_A_401 PDB CREDO	0.579	0.205	0.553	0.005
Rv1689.2	15	3g5d_1N1_A_1 PDB CREDO	0.552	0.241	0.552	0.005
Rv1689.2	15	3qlg_1N1_A_601 PDB CREDO	0.552	0.241	0.552	0.005
Rv1689.2	3	2trt_TAC_A_222 PDB CREDO	0.552	0.241	0.552	0.005
Rv1689.2	3	2xn6_T44_A_1370 PDB CREDO	0.552	0.241	0.552	0.005
Rv1689.2	8	3r9c_ECL_A_451 PDB CREDO	0.704	0.077	0.552	0.005
Rv1689.2	8	2bdm_TMI_A_502 PDB CREDO	0.635	0.139	0.551	0.005
Rv1689.2	8	3hbb_TMQ_C_613 PDB CREDO	0.600	0.178	0.549	0.005
Rv1689.2	8	3clb_TMQ_C_613 PDB CREDO	0.575	0.211	0.549	0.005
Rv1689.2	8	3mdt_VOR_A_506 PDB CREDO	0.738	0.055	0.549	0.005
Rv1689.2	3	1jin_KTN_A_801 PDB CREDO	0.570	0.217	0.547	0.005
Rv1689.2	8	2jap_J01_B_1249 PDB CREDO	0.599	0.180	0.545	0.005
Rv1689.2	8	2jap_J01_C_1249 PDB CREDO	0.597	0.183	0.543	0.006
Rv1689.2	8	3hbb_TMQ_A_611 PDB CREDO	0.569	0.218	0.543	0.006
Rv1689.2	8	1xot_VDN_B_102 PDB CREDO	0.542	0.255	0.542	0.006
Rv1689.2	8	1xoz_CIA_A_501 PDB CREDO	0.542	0.255	0.542	0.006
Rv1689.2	15	2y7j_B49_B_1294 PDB CREDO	0.587	0.195	0.542	0.006
Rv1689.2	3	2o7o_DXT_A_222 PDB CREDO	0.542	0.255	0.542	0.006
Rv1689.2	3	3adx_IMN_B_3 PDB CREDO	0.542	0.255	0.542	0.006
Rv1689.2	8	2jap_J01_A_1249 PDB CREDO	0.595	0.185	0.541	0.006
Rv1689.2	8	2jap_J01_D_1249 PDB CREDO	0.595	0.185	0.541	0.006
Rv1689.2	8	2yoe_FL7_C_1318 PDB CREDO	0.727	0.062	0.540	0.006
Rv1689.2	3	3kw2_ADN_B_300 PDB CREDO	0.561	0.229	0.539	0.006
Rv1689.2	8	3ri5_IVM_E_349 PDB CREDO	0.726	0.062	0.539	0.006
Rv1689.2	15	3kw2_ADN_A_300 PDB CREDO	0.581	0.203	0.538	0.006
Rv1689.2	2	3bjw_SVR_H_511 PDB CREDO	0.538	0.262	0.538	0.006
Rv1689.2	3	2uxo_TAC_B_1211 PDB CREDO	0.537	0.262	0.537	0.006
Rv1689.2	2	3bjw_SVR_E_510 PDB CREDO	0.537	0.262	0.537	0.006
Rv1689.2	8	3clb_TMQ_D_614 PDB CREDO	0.561	0.228	0.536	0.006
Rv1689.2	3	3sxr_1N1_A_1 PDB CREDO	0.558	0.234	0.536	0.006
Rv1689.2	2	3bjw_SVR_F_509 PDB CREDO	0.535	0.265	0.535	0.006
Rv1689.2	8	3hbb_TMQ_D_614 PDB CREDO	0.560	0.230	0.535	0.006
Rv1689.2	15	1kij_NOV_B_444 PDB CREDO	0.556	0.236	0.535	0.006
Rv1689.2	8	2bxf_DZP_B_2001 PDB CREDO	0.534	0.267	0.534	0.006
Rv1689.2	8	3clb_TMQ_A_611 PDB CREDO	0.581	0.202	0.531	0.007
Rv1689.2	3	3k2h_LYA_A_514 PDB CREDO	0.575	0.211	0.531	0.007
Rv1689.2	15	2pgf_ADN_A_501 PDB CREDO	0.572	0.215	0.530	0.007
Rv1689.2	2	3bjw_SVR_B_501 PDB CREDO	0.571	0.215	0.530	0.007
Rv1689.2	15	3fuu_ADN_A_0 PDB CREDO	0.529	0.274	0.529	0.007
Rv1689.2	8	2w9s_TOP_D_1158 PDB CREDO	0.631	0.144	0.529	0.007
Rv1689.2	3	3ri5_IVM_E_349 PDB CREDO	0.549	0.245	0.528	0.007
Rv1689.2	3	3f4x_KLT_A_300 PDB CREDO	0.593	0.187	0.528	0.007
Rv1689.2	15	2zva_1N1_A_513 PDB CREDO	0.548	0.246	0.527	0.007
Rv1689.2	8	2ij7_TPF_C_2471 PDB CREDO	0.672	0.104	0.526	0.007
Rv1689.2	2	1xkk_FMM_A_91 PDB CREDO	0.568	0.220	0.526	0.007
Rv1689.2	2	3bjw_SVR_F_502 PDB CREDO	0.567	0.221	0.526	0.007
Rv1689.2	3	1z9y_FUN_A_500 PDB CREDO	0.591	0.190	0.525	0.007
Rv1689.2	8	2bxf_DZP_A_2001 PDB CREDO	0.525	0.280	0.525	0.007
Rv1689.2	2	3bjw_SVR_B_512 PDB CREDO	0.566	0.221	0.525	0.007
Rv1689.2	2	3bjw_SVR_H_504 PDB CREDO	0.566	0.222	0.525	0.007
Rv1689.2	3	1uho_VDN_A_1000 PDB CREDO	0.567	0.220	0.522	0.008
Rv1689.2	8	3clb_TMQ_B_612 PDB CREDO	0.522	0.284	0.522	0.008
Rv1689.2	15	3oht_1N1_A_1000 PDB CREDO	0.563	0.227	0.521	0.008
Rv1689.2	8	3tvx_PNX_A_902 PDB CREDO	0.601	0.178	0.521	0.008
Rv1689.2	2	1t46_STI_A_3 PDB CREDO	0.592	0.189	0.520	0.008
Rv1689.2	15	1jzs_MRC_A_1301 PDB CREDO	0.541	0.257	0.520	0.008
Rv1689.2	8	1fdu_EST_A_351 PDB CREDO	0.545	0.251	0.520	0.008
Rv1689.2	8	3jus_ECL_A_600 PDB CREDO	0.545	0.251	0.520	0.008
Rv1689.2	3	2w9s_TOP_D_1158 PDB CREDO	0.565	0.224	0.520	0.008
Rv1689.2	8	3b2r_VDN_A_1 PDB CREDO	0.543	0.253	0.519	0.008
Rv1689.2	3	2riw_T44_A_1395 PDB CREDO	0.564	0.225	0.519	0.008
Rv1689.2	2	3bjw_SVR_E_503 PDB CREDO	0.604	0.174	0.517	0.008
Rv1689.2	3	2w8y_NDR_B_1000 PDB CREDO	0.538	0.261	0.517	0.008
Rv1689.2	3	1i2w_CFX_B_2300 PDB CREDO	0.517	0.293	0.517	0.008
Rv1689.2	15	1d4f_ADN_A_601 PDB CREDO	0.536	0.263	0.516	0.009
Rv1689.2	8	3axz_ADN_A_401 PDB CREDO	0.563	0.226	0.515	0.009
Rv1689.2	8	3ndv_AIC_B_376 PDB CREDO	0.515	0.295	0.515	0.009
Rv1689.2	8	3ndv_AIC_D_374 PDB CREDO	0.515	0.295	0.515	0.009
Rv1689.2	3	1a27_EST_A_350 PDB CREDO	0.557	0.235	0.514	0.009
Rv1689.2	3	1i2w_CFX_A_1300 PDB CREDO	0.513	0.298	0.513	0.009
Rv1689.2	3	2xrl_DXT_A_1211 PDB CREDO	0.582	0.201	0.513	0.009
Rv1689.2	8	2pkm_ADN_A_501 PDB CREDO	0.537	0.262	0.513	0.009
Rv1689.2	8	3rhw_IVM_B_349 PDB CREDO	0.747	0.049	0.513	0.009
Rv1689.2	8	3ria_IVM_E_348 PDB CREDO	0.747	0.049	0.513	0.009
Rv1689.2	8	3rif_IVM_E_402 PDB CREDO	0.746	0.050	0.512	0.009
Rv1689.2	8	3ua5_06X_A_501 PDB CREDO	0.590	0.191	0.512	0.009
Rv1689.2	8	3vkx_T3_A_301 PDB CREDO	0.562	0.227	0.512	0.009
Rv1689.2	3	2ceo_T44_B_1395 PDB CREDO	0.605	0.173	0.511	0.009
Rv1689.2	3	3nrr_D16_B_530 PDB CREDO	0.511	0.301	0.511	0.009
Rv1689.2	8	3rhw_IVM_D_349 PDB CREDO	0.744	0.051	0.511	0.009
Rv1689.2	8	3ria_IVM_A_348 PDB CREDO	0.744	0.051	0.511	0.009
Rv1689.2	8	3ri5_IVM_D_349 PDB CREDO	0.743	0.052	0.510	0.009
Rv1689.2	8	3ria_IVM_C_350 PDB CREDO	0.743	0.052	0.510	0.009
Rv1689.2	8	3tmz_06X_A_503 PDB CREDO	0.582	0.201	0.510	0.009
Rv1689.2	8	3rhw_IVM_D_348 PDB CREDO	0.742	0.052	0.509	0.009
Rv1689.2	3	2ceo_T44_A_1395 PDB CREDO	0.603	0.176	0.509	0.009
Rv1689.2	3	2vke_TAC_A_222 PDB CREDO	0.551	0.243	0.509	0.009
Rv1689.2	8	3rhw_IVM_B_348 PDB CREDO	0.741	0.053	0.509	0.010
Rv1689.2	8	3ri5_IVM_B_349 PDB CREDO	0.741	0.053	0.509	0.010
Rv1689.2	2	2v0z_C41_C_1328 PDB CREDO	0.521	0.286	0.508	0.010
Rv1689.2	3	2pou_I7A_A_1000 PDB CREDO	0.571	0.215	0.508	0.010
Rv1689.2	8	1jin_KTN_A_801 PDB CREDO	0.684	0.094	0.507	0.010
Rv1689.2	8	3b2r_VDN_B_1 PDB CREDO	0.531	0.272	0.507	0.010
Rv1689.2	3	3mdz_EZL_A_264 PDB CREDO	0.574	0.211	0.507	0.010
Rv1689.2	3	3sv8_SV6_A_1 PDB CREDO	0.527	0.277	0.506	0.010
Rv1689.2	3	1zgf_TRU_A_300 PDB CREDO	0.569	0.218	0.506	0.010
Rv1689.2	8	2iyf_ERY_B_1399 PDB CREDO	0.577	0.207	0.505	0.010
Rv1689.2	3	3bl1_BL1_A_300 PDB CREDO	0.568	0.219	0.505	0.010
Rv1689.2	3	3g0e_B49_A_9000 PDB CREDO	0.504	0.311	0.504	0.010
Rv1689.2	8	1lii_ADN_A_699 PDB CREDO	0.582	0.202	0.504	0.010
Rv1689.2	8	4dx7_DM2_A_1106 PDB CREDO	0.527	0.276	0.504	0.010
Rv1689.2	3	2xpw_OTC_A_222 PDB CREDO	0.545	0.251	0.504	0.010
Rv1689.2	8	1iol_EST_A_400 PDB CREDO	0.527	0.277	0.503	0.010
Rv1689.2	8	1ll5_IM2_B_370 PDB CREDO	0.503	0.313	0.503	0.010
Rv1689.2	15	1d4f_ADN_B_602 PDB CREDO	0.543	0.254	0.503	0.010
Rv1689.2	15	1d4f_ADN_D_604 PDB CREDO	0.543	0.254	0.503	0.010
Rv1689.2	2	2xkw_P1B_A_1478 PDB CREDO	0.529	0.274	0.503	0.010
Rv1689.2	3	1ya3_STR_C_3001 PDB CREDO	0.610	0.167	0.503	0.010
Rv1689.2	15	3kw2_ADN_B_300 PDB CREDO	0.523	0.283	0.503	0.010
Rv1689.2	3	1fj8_CER_D_500 PDB CREDO	0.546	0.249	0.503	0.010
Rv1689.2	2	1uwj_BAX_A_1723 PDB CREDO	0.656	0.119	0.503	0.010
Rv1689.2	8	2nnj_225_A_501 PDB CREDO	0.579	0.205	0.502	0.011
Rv1689.2	8	3pgh_FLP_B_701 PDB CREDO	0.502	0.315	0.502	0.011
Rv1689.2	8	1fdu_EST_B_354 PDB CREDO	0.549	0.246	0.501	0.011
Rv1689.2	3	3jwq_VIA_B_901 PDB CREDO	0.630	0.145	0.501	0.011
Rv1689.2	3	1uof_PNN_A_1312 PDB CREDO	0.501	0.316	0.501	0.011
Rv1689.2	8	1lik_ADN_A_699 PDB CREDO	0.578	0.206	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
L-tyrosinePubChem	0.979	181.189
adenosine triphosphatePubChem	0.94	507.181
pyrophosphatePubChem	0.925	177.975
YsaPubChem	0.92	509.493
adenosine monophosphatePubChem	0.9	347.221
hydron sulfatePubChem	0.752	196.157
sulfatePubChem	0.752	96.0626
1jijPubChem	0.704	415.395
1jilPubChem	0.704	384.381
SB-219383PubChem	0.704	413.379
1jiiPubChem	0.704	413.379
1jikPubChem	0.704	471.501