SInCRe - Rv1654

Tuberculist information

Gene name	argB
Protein function	Probable acetylglutamate kinase ArgB
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	1867.84
Molecular mass(da)	30936.8
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 294

	  		  	1    MSRIEALPTHIKAQVLAEALPWLKQLHGKVVVVKYGGNAMTDDTLRRAFAADMAFLRNCG   60
			  	61   IHPVVVHGGGPQITAMLRRLGIEGDFKGGFRVTTPEVLDVARMVLFGQVGRELVNLINAH  120
			  	121  GPYAVGITGEDAQLFTAVRRSVTVDGVATDIGLVGDVDQVNTAAMLDLVAAGRIPVVSTL  180
			  	181  APDADGVVHNINADTAAAAVAEALGAEKLLMLTDIDGLYTRWPDRDSLVSEIDTGTLAQL  240
			  	241  LPTLESGMVPKVEACLRAVIGGVPSAHIIDGRVTHCVLVELFTDAGTGTKVVRG

Known structures in the PDB

	PDB ID	2AP9
	Total residue count	1794
	Number of chains	6
	Method	X-RAY
	Resolution	2.8

Number of amino acids : 294

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
AA_kinase	PF00696	29-270

Mtb Structural Proteome models

Model Number	1
Model name	Rv1654_2ap9_A
Template	2AP9 APDB CREDO
Template coverage	6_304
Template Identity(%)	100.0
Model coverage(%)	101.4
Normalized DOPE score	-0.894

Model Number	2
Model name	Rv1654
Template	2AP9 APDB CREDO
Template coverage	6_296
Template Identity(%)	99.7
Model coverage(%)	98.6
Normalized DOPE score	-0.833

Structure Models from Chopin

Model Number	1
Profile	c.73.1.2 - 3.40.1160.10 Click for model details
zscore	52.3
Residue begin	2
Residue end	294

Binding pockets

STRING

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

Protein interacting with Rv1654	Gene name	Confidence Score
Rv1652	argC	0.999
Rv1652	argC	0.999
Rv1653	argJ	0.999
Rv1655	argD	0.999
Rv1656	argF	0.998
Rv1656	argF	0.998
Rv1658	argG	0.996
Rv2747	argA	0.995
Rv1657	argR	0.993
Rv1657	argR	0.993
Rv1659	argH	0.993
Rv1659	argH	0.993
Rv1383	carA	0.98
Rv1383	carA	0.98
Rv3708c	asd	0.923
Rv3708c	asd	0.923
Rv2439c	proB	0.922
Rv2439c	proB	0.922
Rv1384	carB	0.916
Rv1384	carB	0.916
Rv1384	carB	0.916
Rv1384	carB	0.916
Rv2995c	leuB	0.911
Rv2988c	leuC	0.908

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv1654_2ap9_A	5	1z2b_VLB_C_800 PDB CREDO	0.668	0.107	0.649	0.001
Rv1654_2ap9_A	5	3d91_REM_B_350 PDB CREDO	0.642	0.132	0.642	0.001
Rv1654_2ap9_A	5	3d91_REM_A_350 PDB CREDO	0.635	0.139	0.635	0.001
Rv1654_2ap9_A	5	3frq_ERY_A_195 PDB CREDO	0.651	0.123	0.633	0.001
Rv1654_2ap9_A	5	2nni_MTK_A_501 PDB CREDO	0.637	0.138	0.619	0.001
Rv1654_2ap9_A	5	1sa1_POD_B_700 PDB CREDO	0.612	0.165	0.612	0.002
Rv1654_2ap9_A	5	1sa1_POD_D_701 PDB CREDO	0.626	0.150	0.607	0.002
Rv1654_2ap9_A	5	3frq_ERY_B_195 PDB CREDO	0.686	0.092	0.607	0.002
Rv1654_2ap9_A	5	3h52_486_B_1 PDB CREDO	0.621	0.155	0.603	0.002
Rv1654_2ap9_A	5	3h52_486_D_2 PDB CREDO	0.630	0.145	0.593	0.002
Rv1654_2ap9_A	5	3ut5_LOC_B_502 PDB CREDO	0.629	0.146	0.593	0.002
Rv1654_2ap9_A	5	2oax_SNL_F_6001 PDB CREDO	0.610	0.168	0.592	0.002
Rv1654_2ap9_A	5	1uwj_BAX_B_1723 PDB CREDO	0.591	0.190	0.591	0.002
Rv1654_2ap9_A	5	1uwj_BAX_A_1723 PDB CREDO	0.644	0.130	0.591	0.002
Rv1654_2ap9_A	5	2oax_SNL_A_1001 PDB CREDO	0.608	0.170	0.590	0.003
Rv1654_2ap9_A	5	3tkd_CYZ_B_267 PDB CREDO	0.625	0.150	0.589	0.003
Rv1654_2ap9_A	5	2oax_SNL_E_5001 PDB CREDO	0.606	0.172	0.588	0.003
Rv1654_2ap9_A	5	1uwh_BAX_A_1723 PDB CREDO	0.623	0.153	0.586	0.003
Rv1654_2ap9_A	5	2oax_SNL_D_4001 PDB CREDO	0.604	0.174	0.586	0.003
Rv1654_2ap9_A	5	1uwh_BAX_B_1723 PDB CREDO	0.622	0.154	0.586	0.003
Rv1654_2ap9_A	5	3ut5_LOC_D_502 PDB CREDO	0.661	0.114	0.585	0.003
Rv1654_2ap9_A	5	1lhv_NOG_A_301 PDB CREDO	0.682	0.095	0.585	0.003
Rv1654_2ap9_A	5	3b0w_DGX_A_1 PDB CREDO	0.584	0.199	0.584	0.003
Rv1654_2ap9_A	5	2ab2_SNL_B_503 PDB CREDO	0.645	0.130	0.571	0.004
Rv1654_2ap9_A	5	3e22_LOC_B_700 PDB CREDO	0.642	0.132	0.568	0.004
Rv1654_2ap9_A	5	2ab2_SNL_A_502 PDB CREDO	0.642	0.133	0.568	0.004
Rv1654_2ap9_A	5	2oax_SNL_C_3001 PDB CREDO	0.641	0.133	0.568	0.004
Rv1654_2ap9_A	5	2hw2_RFP_A_1200 PDB CREDO	0.638	0.137	0.565	0.004
Rv1654_2ap9_A	5	3e22_LOC_D_700 PDB CREDO	0.638	0.137	0.565	0.004
Rv1654_2ap9_A	5	3h52_486_A_3 PDB CREDO	0.596	0.183	0.561	0.004
Rv1654_2ap9_A	5	2oax_SNL_B_2001 PDB CREDO	0.634	0.141	0.561	0.004
Rv1654_2ap9_A	5	3jwq_VIA_D_901 PDB CREDO	0.745	0.051	0.560	0.004
Rv1654_2ap9_A	5	3tkd_CYZ_A_266 PDB CREDO	0.630	0.144	0.558	0.004
Rv1654_2ap9_A	5	3vhu_SNL_A_1001 PDB CREDO	0.630	0.144	0.558	0.004
Rv1654_2ap9_A	5	1uob_PNN_A_1311 PDB CREDO	0.572	0.214	0.555	0.005
Rv1654_2ap9_A	5	3q70_RIT_A_2001 PDB CREDO	0.572	0.215	0.555	0.005
Rv1654_2ap9_A	5	3tne_RIT_A_401 PDB CREDO	0.626	0.149	0.554	0.005
Rv1654_2ap9_A	5	3spk_TPV_B_100 PDB CREDO	0.568	0.219	0.552	0.005
Rv1654_2ap9_A	5	2w8y_486_A_1000 PDB CREDO	0.549	0.246	0.549	0.005
Rv1654_2ap9_A	5	3bjw_SVR_E_503 PDB CREDO	0.668	0.107	0.548	0.005
Rv1654_2ap9_A	5	4asd_BAX_A_1500 PDB CREDO	0.545	0.251	0.545	0.005
Rv1654_2ap9_A	5	2h42_VIA_A_901 PDB CREDO	0.725	0.063	0.544	0.005
Rv1654_2ap9_A	5	1hwk_117_B_1 PDB CREDO	0.577	0.208	0.544	0.006
Rv1654_2ap9_A	5	3mnp_DEX_A_784 PDB CREDO	0.595	0.185	0.543	0.006
Rv1654_2ap9_A	5	1xkk_FMM_A_91 PDB CREDO	0.716	0.069	0.543	0.006
Rv1654_2ap9_A	5	3mno_DEX_A_784 PDB CREDO	0.593	0.187	0.542	0.006
Rv1654_2ap9_A	5	3b0w_DGX_B_1 PDB CREDO	0.607	0.171	0.541	0.006
Rv1654_2ap9_A	5	2aa5_STR_A_301 PDB CREDO	0.670	0.105	0.539	0.006
Rv1654_2ap9_A	5	2aa5_STR_B_302 PDB CREDO	0.670	0.105	0.539	0.006
Rv1654_2ap9_A	5	2v0z_C41_O_1327 PDB CREDO	0.689	0.090	0.536	0.006
Rv1654_2ap9_A	5	1t46_STI_A_3 PDB CREDO	0.670	0.106	0.535	0.006
Rv1654_2ap9_A	14	3fuu_ADN_A_0 PDB CREDO	0.534	0.267	0.534	0.006
Rv1654_2ap9_A	5	2aa6_STR_B_402 PDB CREDO	0.661	0.114	0.531	0.007
Rv1654_2ap9_A	5	3vn2_TLS_A_501 PDB CREDO	0.582	0.202	0.531	0.007
Rv1654_2ap9_A	5	2aax_PDN_B_503 PDB CREDO	0.658	0.117	0.529	0.007
Rv1654_2ap9_A	5	2aax_PDN_A_502 PDB CREDO	0.656	0.118	0.527	0.007
Rv1654_2ap9_A	5	1fm6_BRL_X_504 PDB CREDO	0.614	0.162	0.527	0.007
Rv1654_2ap9_A	5	1y0x_T44_X_500 PDB CREDO	0.559	0.232	0.526	0.007
Rv1654_2ap9_A	5	2aa6_STR_A_401 PDB CREDO	0.655	0.120	0.526	0.007
Rv1654_2ap9_A	5	1p93_DEX_D_4999 PDB CREDO	0.631	0.143	0.524	0.008
Rv1654_2ap9_A	5	3mne_DEX_A_784 PDB CREDO	0.630	0.145	0.523	0.008
Rv1654_2ap9_A	5	1p93_DEX_C_3999 PDB CREDO	0.630	0.145	0.523	0.008
Rv1654_2ap9_A	5	1hwl_FBI_D_3 PDB CREDO	0.538	0.261	0.522	0.008
Rv1654_2ap9_A	5	1hwk_117_A_2 PDB CREDO	0.521	0.286	0.521	0.008
Rv1654_2ap9_A	5	1hwl_FBI_B_1 PDB CREDO	0.537	0.263	0.521	0.008
Rv1654_2ap9_A	5	3kk6_CEL_B_1701 PDB CREDO	0.618	0.158	0.521	0.008
Rv1654_2ap9_A	5	1hwk_117_C_4 PDB CREDO	0.520	0.287	0.520	0.008
Rv1654_2ap9_A	5	3gn8_DEX_B_247 PDB CREDO	0.627	0.149	0.520	0.008
Rv1654_2ap9_A	5	3kk6_CEL_A_701 PDB CREDO	0.686	0.092	0.520	0.008
Rv1654_2ap9_A	5	3sm2_478_A_126 PDB CREDO	0.721	0.066	0.520	0.008
Rv1654_2ap9_A	5	3gn8_DEX_A_247 PDB CREDO	0.623	0.152	0.518	0.008
Rv1654_2ap9_A	5	1m2z_DEX_A_301 PDB CREDO	0.623	0.153	0.517	0.008
Rv1654_2ap9_A	5	3jwq_VIA_B_901 PDB CREDO	0.764	0.041	0.516	0.009
Rv1654_2ap9_A	5	1m2z_DEX_D_401 PDB CREDO	0.621	0.155	0.515	0.009
Rv1654_2ap9_A	14	3kw2_ADN_B_300 PDB CREDO	0.536	0.264	0.515	0.009
Rv1654_2ap9_A	5	1nhz_486_A_800 PDB CREDO	0.663	0.112	0.515	0.009
Rv1654_2ap9_A	5	1a28_STR_B_2 PDB CREDO	0.600	0.179	0.514	0.009
Rv1654_2ap9_A	5	3bbt_FMM_D_91 PDB CREDO	0.684	0.094	0.514	0.009
Rv1654_2ap9_A	5	3uvv_T3_A_501 PDB CREDO	0.599	0.181	0.513	0.009
Rv1654_2ap9_A	5	3bjw_SVR_H_504 PDB CREDO	0.676	0.100	0.513	0.009
Rv1654_2ap9_A	5	1zgy_BRL_A_503 PDB CREDO	0.660	0.115	0.513	0.009
Rv1654_2ap9_A	5	3bjw_SVR_F_502 PDB CREDO	0.674	0.102	0.511	0.009
Rv1654_2ap9_A	5	1xzx_T3_X_500 PDB CREDO	0.596	0.184	0.511	0.009
Rv1654_2ap9_A	5	1bsx_T3_A_1 PDB CREDO	0.615	0.161	0.511	0.009
Rv1654_2ap9_A	5	1bsx_T3_B_2 PDB CREDO	0.615	0.161	0.511	0.009
Rv1654_2ap9_A	5	2v0z_C41_C_1328 PDB CREDO	0.707	0.076	0.509	0.009
Rv1654_2ap9_A	5	3bjw_SVR_B_501 PDB CREDO	0.671	0.105	0.509	0.009
Rv1654_2ap9_A	14	3kw2_ADN_A_300 PDB CREDO	0.549	0.245	0.509	0.010
Rv1654_2ap9_A	5	1p93_DEX_B_2999 PDB CREDO	0.676	0.101	0.507	0.010
Rv1654_2ap9_A	5	1hwl_FBI_C_4 PDB CREDO	0.522	0.284	0.507	0.010
Rv1654_2ap9_A	5	3so9_017_A_100 PDB CREDO	0.538	0.262	0.506	0.010
Rv1654_2ap9_A	5	1n49_RIT_D_401 PDB CREDO	0.536	0.264	0.506	0.010
Rv1654_2ap9_A	5	1hwl_FBI_A_2 PDB CREDO	0.521	0.287	0.505	0.010
Rv1654_2ap9_A	5	3tne_RIT_B_401 PDB CREDO	0.571	0.216	0.505	0.010
Rv1654_2ap9_A	4	2ac7_ADN_B_1215 PDB CREDO	0.505	0.310	0.505	0.010
Rv1654_2ap9_A	5	3gws_T3_X_500 PDB CREDO	0.608	0.169	0.505	0.010
Rv1654_2ap9_A	5	1p93_DEX_A_1999 PDB CREDO	0.672	0.104	0.504	0.010
Rv1654_2ap9_A	5	1ya3_STR_A_1001 PDB CREDO	0.691	0.088	0.501	0.011
Rv1654_2ap9_A	5	2qxs_RAL_B_600 PDB CREDO	0.594	0.186	0.501	0.011
Rv1654_2ap9_A	5	1ya3_STR_B_2001 PDB CREDO	0.690	0.088	0.501	0.011
Rv1654_2ap9_A	5	3spk_TPV_A_100 PDB CREDO	0.645	0.130	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
N-acetylglutamatePubChem	0.994	189.166
adenosine diphosphatePubChem	0.978	427.201
adenosine triphosphatePubChem	0.965	507.181
ornithinePubChem	0.958	132.161
N-acetyl-L-glutamyl-5-phosphatePubChem	0.95	269.146
phosphatePubChem	0.946	96.9872
N-acetyl-L-glutamic acid gamma-semialdehydePubChem	0.933	173.167
acetylornithinePubChem	0.929	174.198
glutamatePubChem	0.926	147.129
L-argininePubChem	0.902	174.201
deuteriumPubChem	0.9	2.01588
H(+)PubChem	0.9	2.01588
acetyl-CoAPubChem	0.9	809.571
acetyl coenzyme-APubChem	0.9	809.571
NADP(H)PubChem	0.9	745.421
N-acetylglutamyl-phosphatePubChem	0.9	269.146
Co-APubChem	0.9	767.534
coenzyme APubChem	0.9	767.534
protiumPubChem	0.9	2.01576
NADPPubChem	0.9	744.413
magnesiumPubChem	0.81	24.305
chloridePubChem	0.786	35.453
glycerolPubChem	0.783	92.0938
selenomethioninePubChem	0.765	196.106
SeMetPubChem	0.765	196.106
potassium hydridePubChem	0.704	40.1062
potassiumPubChem	0.704	39.0983
nickelPubChem	0.7	58.6934
Na(+)PubChem	0.7	22.9898