SInCRe - Rv0013

Tuberculist information

Gene name	trpG
Protein function	Possible anthranilate synthase component II TrpG (glutamine amidotransferase)
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	14.914
Molecular mass(da)	24626.9
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 232

	  		  	1    MRILVVDNYDSFVFNLVQYLGQLGIEAEVWRNDDHRLSDEAAVAGQFDGVLLSPGPGTPE   60
			  	61   RAGASVSIVHACAAAHTPLLGVCLGHQAIGVAFGATVDRAPELLHGKTSSVFHTNVGVLQ  120
			  	121  GLPDPFTATRYHSLTILPKSLPAVLRVTARTSSGVIMAVQHTGLPIHGVQFHPESILTEG  180
			  	181  GHRILANWLTCCGWTQDDTLVRRLENEVLTAISPHFPTSTASAGEATGRTSA

Known structures in the PDB

No Known structures

Number of amino acids : 232

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
GATase	PF00117	4-192

Mtb Structural Proteome models

Model Number	1
Model name	Rv0013
Template	1QDL BPDB CREDO
Template coverage	5_192
Template Identity(%)	44.6
Model coverage(%)	79.7
Normalized DOPE score	-0.95

Model Number	2
Model name	Rv0013.2
Template	1GPM APDB CREDO
Template coverage	9_241
Template Identity(%)	22.5
Model coverage(%)	99.1
Normalized DOPE score	-0.387

Structure Models from Chopin

Model Number	1
Profile	c.23.16.1 - 3.40.50.880 Click for model details
zscore	22.27
Residue begin	1
Residue end	232

Binding pockets

STRING

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

Protein interacting with Rv0013	Gene name	Confidence Score
Rv2192c	trpD	0.999
Rv1609	trpE	0.999
Rv1005c	pabB	0.999
Rv1609	trpE	0.999
Rv2192c	trpD	0.999
Rv1611	trpC	0.998
Rv2540c	aroF	0.992
Rv1612	trpB	0.984
Rv2386c	mbtI	0.979
Rv1602	hisH	0.968
Rv0812	Rv0812	0.952
Rv3215	entC	0.948
Rv1613	trpA	0.945
Rv1606	hisI	0.94
Rv3607c	folB	0.937
Rv3336c	trpS	0.933
Rv3227	aroA	0.93
Rv3606c	folK	0.925
Rv1605	hisF	0.922
Rv3608c	folP1	0.921
Rv2445c	ndkA	0.918
Rv2538c	aroB	0.916
Rv1603	hisA	0.915
Rv1408	rpe	0.912

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv0013.2	11	2h77_T3_A_1 PDB CREDO	0.668	0.107	0.646	0.001
Rv0013.2	11	1bsx_T3_A_1 PDB CREDO	0.714	0.071	0.646	0.001
Rv0013.2	11	1bsx_T3_B_2 PDB CREDO	0.714	0.071	0.646	0.001
Rv0013.2	11	3gws_T3_X_500 PDB CREDO	0.713	0.071	0.645	0.001
Rv0013.2	11	3uvv_T3_A_501 PDB CREDO	0.732	0.059	0.641	0.001
Rv0013.2	11	1xzx_T3_X_500 PDB CREDO	0.730	0.060	0.640	0.001
Rv0013.2	11	3qt0_486_A_4 PDB CREDO	0.637	0.138	0.637	0.001
Rv0013.2	11	2h79_T3_A_1 PDB CREDO	0.674	0.102	0.631	0.001
Rv0013.2	11	1s9p_DES_D_600 PDB CREDO	0.672	0.104	0.627	0.001
Rv0013.2	11	3erd_DES_B_800 PDB CREDO	0.692	0.087	0.623	0.001
Rv0013.2	11	1s9p_DES_A_459 PDB CREDO	0.665	0.110	0.620	0.001
Rv0013.2	11	1zgy_BRL_A_503 PDB CREDO	0.638	0.137	0.616	0.002
Rv0013.2	11	3h0a_9RA_A_500 PDB CREDO	0.613	0.164	0.613	0.002
Rv0013.2	11	3bbt_FMM_D_91 PDB CREDO	0.603	0.176	0.603	0.002
Rv0013.2	11	3erd_DES_A_600 PDB CREDO	0.668	0.107	0.601	0.002
Rv0013.2	11	1fm6_BRL_D_503 PDB CREDO	0.638	0.137	0.595	0.002
Rv0013.2	11	3ln1_CEL_D_682 PDB CREDO	0.594	0.186	0.594	0.002
Rv0013.2	11	1y0x_T44_X_500 PDB CREDO	0.736	0.056	0.587	0.003
Rv0013.2	1	1p7r_NCT_A_440 PDB CREDO	0.615	0.162	0.580	0.003
Rv0013.2	11	2prg_BRL_A_1 PDB CREDO	0.618	0.158	0.576	0.003
Rv0013.2	11	1fm6_BRL_X_504 PDB CREDO	0.651	0.123	0.570	0.004
Rv0013.2	11	3oht_1N1_B_1000 PDB CREDO	0.611	0.166	0.570	0.004
Rv0013.2	11	1gs4_ZK5_A_1918 PDB CREDO	0.632	0.142	0.569	0.004
Rv0013.2	11	1mx1_THA_C_3 PDB CREDO	0.605	0.173	0.564	0.004
Rv0013.2	11	2hw2_RFP_A_1200 PDB CREDO	0.664	0.111	0.563	0.004
Rv0013.2	11	3e22_LOC_B_700 PDB CREDO	0.664	0.111	0.563	0.004
Rv0013.2	11	1qkn_RAL_A_600 PDB CREDO	0.620	0.156	0.561	0.004
Rv0013.2	11	3e22_LOC_D_700 PDB CREDO	0.660	0.114	0.561	0.004
Rv0013.2	11	2xkw_P1B_B_1475 PDB CREDO	0.623	0.153	0.560	0.004
Rv0013.2	11	3jwq_VIA_D_901 PDB CREDO	0.560	0.230	0.560	0.004
Rv0013.2	11	1ya4_CTX_C_3 PDB CREDO	0.750	0.048	0.559	0.004
Rv0013.2	11	3spk_TPV_A_100 PDB CREDO	0.572	0.214	0.553	0.005
Rv0013.2	11	1ya4_CTX_B_2 PDB CREDO	0.741	0.053	0.552	0.005
Rv0013.2	1	3frb_TOP_X_300 PDB CREDO	0.551	0.243	0.551	0.005
Rv0013.2	11	3heg_BAX_A_1 PDB CREDO	0.710	0.073	0.550	0.005
Rv0013.2	11	1mx1_THA_E_5 PDB CREDO	0.633	0.142	0.549	0.005
Rv0013.2	1	3kw4_TIC_A_600 PDB CREDO	0.615	0.162	0.548	0.005
Rv0013.2	11	3gcs_BAX_A_401 PDB CREDO	0.728	0.061	0.547	0.005
Rv0013.2	11	1err_RAL_A_600 PDB CREDO	0.663	0.112	0.546	0.005
Rv0013.2	11	1nhz_486_A_800 PDB CREDO	0.564	0.225	0.545	0.005
Rv0013.2	1	1dg5_TOP_A_201 PDB CREDO	0.544	0.253	0.544	0.006
Rv0013.2	11	3ols_EST_A_600 PDB CREDO	0.759	0.043	0.544	0.006
Rv0013.2	11	1g50_EST_A_600 PDB CREDO	0.758	0.044	0.542	0.006
Rv0013.2	11	3ols_EST_B_600 PDB CREDO	0.758	0.044	0.542	0.006
Rv0013.2	11	2yja_EST_B_1550 PDB CREDO	0.756	0.044	0.541	0.006
Rv0013.2	11	2jfa_RAL_A_600 PDB CREDO	0.638	0.137	0.541	0.006
Rv0013.2	11	2jfa_RAL_B_600 PDB CREDO	0.658	0.117	0.541	0.006
Rv0013.2	11	2h42_VIA_A_901 PDB CREDO	0.540	0.258	0.540	0.006
Rv0013.2	11	1err_RAL_B_600 PDB CREDO	0.656	0.118	0.540	0.006
Rv0013.2	11	3uud_EST_B_600 PDB CREDO	0.753	0.046	0.539	0.006
Rv0013.2	11	2j7y_E3O_A_1454 PDB CREDO	0.668	0.107	0.538	0.006
Rv0013.2	11	3ln1_CEL_A_682 PDB CREDO	0.594	0.186	0.538	0.006
Rv0013.2	11	3ln1_CEL_B_682 PDB CREDO	0.594	0.186	0.538	0.006
Rv0013.2	11	3ln1_CEL_C_682 PDB CREDO	0.594	0.186	0.537	0.006
Rv0013.2	11	3uud_EST_A_600 PDB CREDO	0.749	0.048	0.537	0.006
Rv0013.2	1	3qfx_CP6_B_702 PDB CREDO	0.636	0.138	0.536	0.006
Rv0013.2	11	3cs8_BRL_A_503 PDB CREDO	0.718	0.067	0.535	0.006
Rv0013.2	11	1ya3_STR_A_1001 PDB CREDO	0.554	0.239	0.535	0.006
Rv0013.2	11	1sqn_NDR_A_1001 PDB CREDO	0.573	0.213	0.534	0.006
Rv0013.2	11	1sqn_NDR_B_2001 PDB CREDO	0.572	0.214	0.534	0.007
Rv0013.2	11	3bbt_FMM_B_91 PDB CREDO	0.660	0.115	0.531	0.007
Rv0013.2	1	1nr6_DIF_A_501 PDB CREDO	0.531	0.271	0.531	0.007
Rv0013.2	1	3u5j_08H_A_1 PDB CREDO	0.665	0.110	0.531	0.007
Rv0013.2	1	3qfx_CP6_A_602 PDB CREDO	0.629	0.146	0.530	0.007
Rv0013.2	1	3u5k_08J_C_3 PDB CREDO	0.661	0.114	0.528	0.007
Rv0013.2	1	3ko0_TFP_I_201 PDB CREDO	0.528	0.276	0.528	0.007
Rv0013.2	11	2q1v_PDN_A_248 PDB CREDO	0.546	0.250	0.527	0.007
Rv0013.2	1	2e1q_SAL_A_2006 PDB CREDO	0.526	0.279	0.526	0.007
Rv0013.2	1	3p4w_DSF_B_319 PDB CREDO	0.556	0.235	0.524	0.008
Rv0013.2	1	3p4w_DSF_E_319 PDB CREDO	0.554	0.238	0.523	0.008
Rv0013.2	11	1s9p_DES_C_500 PDB CREDO	0.700	0.080	0.522	0.008
Rv0013.2	11	2fum_MIX_D_3539 PDB CREDO	0.521	0.286	0.521	0.008
Rv0013.2	1	3fre_TOP_X_300 PDB CREDO	0.520	0.287	0.520	0.008
Rv0013.2	1	3t3z_9PL_A_501 PDB CREDO	0.520	0.287	0.520	0.008
Rv0013.2	11	1ya3_STR_B_2001 PDB CREDO	0.538	0.260	0.520	0.008
Rv0013.2	1	3p4w_DSF_D_319 PDB CREDO	0.551	0.243	0.519	0.008
Rv0013.2	11	1s9p_DES_B_459 PDB CREDO	0.696	0.084	0.519	0.008
Rv0013.2	1	3u5k_08J_B_2 PDB CREDO	0.587	0.195	0.519	0.008
Rv0013.2	11	3h52_486_A_3 PDB CREDO	0.650	0.125	0.518	0.008
Rv0013.2	1	1fdw_EST_A_350 PDB CREDO	0.615	0.162	0.518	0.008
Rv0013.2	11	2prg_BRL_B_2 PDB CREDO	0.555	0.237	0.518	0.008
Rv0013.2	1	2wuz_TPF_A_1460 PDB CREDO	0.517	0.292	0.517	0.008
Rv0013.2	1	3t3z_9PL_D_501 PDB CREDO	0.517	0.292	0.517	0.008
Rv0013.2	11	3oct_1N1_A_663 PDB CREDO	0.534	0.267	0.516	0.009
Rv0013.2	11	1a28_STR_B_2 PDB CREDO	0.587	0.194	0.515	0.009
Rv0013.2	1	1phg_MYT_A_422 PDB CREDO	0.578	0.207	0.514	0.009
Rv0013.2	1	3qeo_LLT_B_261 PDB CREDO	0.578	0.207	0.514	0.009
Rv0013.2	11	4asd_BAX_A_1500 PDB CREDO	0.684	0.094	0.514	0.009
Rv0013.2	1	2bla_CP6_A_1240 PDB CREDO	0.610	0.168	0.514	0.009
Rv0013.2	11	3oht_1N1_A_1000 PDB CREDO	0.614	0.163	0.513	0.009
Rv0013.2	1	2wey_EV1_B_1771 PDB CREDO	0.544	0.253	0.512	0.009
Rv0013.2	1	3uni_SAL_A_1344 PDB CREDO	0.512	0.300	0.512	0.009
Rv0013.2	11	1jg2_ADN_A_500 PDB CREDO	0.526	0.278	0.508	0.010
Rv0013.2	11	3h52_486_D_2 PDB CREDO	0.636	0.138	0.508	0.010
Rv0013.2	1	3qgt_CP6_A_609 PDB CREDO	0.602	0.176	0.508	0.010
Rv0013.2	11	1sa1_POD_B_700 PDB CREDO	0.674	0.102	0.507	0.010
Rv0013.2	1	3ax9_SAL_B_1340 PDB CREDO	0.506	0.309	0.506	0.010
Rv0013.2	11	3h52_486_C_4 PDB CREDO	0.562	0.227	0.506	0.010
Rv0013.2	1	2bl9_CP6_A_1240 PDB CREDO	0.601	0.178	0.506	0.010
Rv0013.2	11	1sa1_POD_D_701 PDB CREDO	0.653	0.121	0.506	0.010
Rv0013.2	11	3jwq_VIA_B_901 PDB CREDO	0.561	0.229	0.505	0.010
Rv0013.2	1	2w98_P1Z_A_1353 PDB CREDO	0.567	0.221	0.505	0.010
Rv0013.2	1	3ns1_PM6_C_1 PDB CREDO	0.504	0.311	0.504	0.010
Rv0013.2	1	3unc_SAL_B_1338 PDB CREDO	0.504	0.311	0.504	0.010
Rv0013.2	1	3uni_SAL_B_1345 PDB CREDO	0.504	0.311	0.504	0.010
Rv0013.2	1	3u5k_08J_A_1 PDB CREDO	0.631	0.144	0.504	0.010
Rv0013.2	1	3ax7_SAL_B_1336 PDB CREDO	0.503	0.314	0.503	0.010
Rv0013.2	1	3unc_SAL_A_1338 PDB CREDO	0.503	0.314	0.503	0.010
Rv0013.2	11	3vn2_TLS_A_501 PDB CREDO	0.610	0.168	0.501	0.011
Rv0013.2	11	2aa6_STR_B_402 PDB CREDO	0.535	0.265	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
chorismatePubChem	0.979	226.183
p-aminobenzoic acidPubChem	0.978	137.136
4-amino-4-deoxychorismatePubChem	0.977	225.198
glutamatePubChem	0.936	147.129
polyglutaminePubChem	0.907	146.145
phosphatePubChem	0.905	96.9872
H(+)PubChem	0.903	2.01588
deuteriumPubChem	0.903	2.01588
glutaminPubChem	0.9	146.145
protiumPubChem	0.9	2.01576
5-enolpyruvylshikimate-3-phosphatePubChem	0.9	324.178
pyruvic acidPubChem	0.9	88.0621
(3R)-4-ammonio-3-(1-carboxylatovinyloxy)cyclohexa-1,5-diene-1-carboxylatePubChem	0.9	224.19
anthranilic acidPubChem	0.792	137.136
sulfonamidePubChem	0.708	172.205