SInCRe - Rv1652

Tuberculist information

Gene name	argC
Protein function	Probable N-acetyl-gamma-glutamyl-phoshate reductase ArgC
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	1865.58
Molecular mass(da)	36304.3
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 352

	  		  	1    MQNRQVANATKVAVAGASGYAGGEILRLLLGHPAYADGRLRIGALTAATSAGSTLGEHHP   60
			  	61   HLTPLAHRVVEPTEAAVLGGHDAVFLALPHGHSAVLAQQLSPETLIIDCGADFRLTDAAV  120
			  	121  WERFYGSSHAGSWPYGLPELPGARDQLRGTRRIAVPGCYPTAALLALFPALAADLIEPAV  180
			  	181  TVVAVSGTSGAGRAATTDLLGAEVIGSARAYNIAGVHRHTPEIAQGLRAVTDRDVSVSFT  240
			  	241  PVLIPASRGILATCTARTRSPLSQLRAAYEKAYHAEPFIYLMPEGQLPRTGAVIGSNAAH  300
			  	301  IAVAVDEDAQTFVAIAAIDNLVKGTAGAAVQSMNLALGWPETDGLSVVGVAP

Known structures in the PDB

	PDB ID	2I3A
	Total residue count	1408
	Number of chains	4
	Method	X-RAY
	Resolution	2.15

	PDB ID	2I3G
	Total residue count	704
	Number of chains	2
	Method	X-RAY
	Resolution	1.85

	PDB ID	2NQT
	Total residue count	704
	Number of chains	2
	Method	X-RAY
	Resolution	1.58

Number of amino acids : 352

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
Semialdhyde_dh	PF01118	11-150
Semialdhyde_dhC	PF02774	167-323

Mtb Structural Proteome models

Model Number	1
Model name	Rv1652_2nqt_A
Template	2NQT APDB CREDO
Template coverage	6_352
Template Identity(%)	100.0
Model coverage(%)	98.3
Normalized DOPE score	-1.265

Model Number	2
Model name	Rv1652
Template	2CVO APDB CREDO
Template coverage	73_415
Template Identity(%)	38.6
Model coverage(%)	97.2
Normalized DOPE score	-0.274

Structure Models from Chopin

Model Number	1
Profile	d.81.1.1 Click for model details
zscore	13.7
Residue begin	167
Residue end	323

Model Number	2
Profile	c.2.1.6 - 3.40.50.720 Click for model details
zscore	9.35
Residue begin	11
Residue end	150

Model Number	3
Profile	3.30.360.10, 3.40.50.720 Click for model details
zscore	9.05
Residue begin	1
Residue end	352

Binding pockets

STRING

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

Protein interacting with Rv1652	Gene name	Confidence Score
Rv1654	argB	0.999
Rv1655	argD	0.999
Rv1656	argF	0.999
Rv1656	argF	0.999
Rv1653	argJ	0.999
Rv1657	argR	0.997
Rv1657	argR	0.997
Rv1658	argG	0.997
Rv1659	argH	0.995
Rv1659	argH	0.995
Rv1383	carA	0.978
Rv1383	carA	0.978
Rv2988c	leuC	0.946
Rv2995c	leuB	0.937
Rv2540c	aroF	0.933
Rv2427c	proA	0.928
Rv1293	lysA	0.917
Rv1293	lysA	0.917
Rv2439c	proB	0.908
Rv2439c	proB	0.908
Rv3708c	asd	0.904
Rv3708c	asd	0.904
Rv3396c	guaA	0.901
Rv2580c	hisS	0.901
Rv2580c	hisS	0.901
Rv3710	leuA	0.901
Rv3710	leuA	0.901
Rv3396c	guaA	0.901
Rv3396c	guaA	0.901

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv1652_2nqt_A	14	3tne_RIT_A_401 PDB CREDO	0.594	0.187	0.594	0.002
Rv1652_2nqt_A	14	3tne_RIT_B_401 PDB CREDO	0.594	0.187	0.594	0.002
Rv1652_2nqt_A	5	1uho_VDN_A_1000 PDB CREDO	0.575	0.210	0.575	0.003
Rv1652_2nqt_A	14	1uwh_BAX_B_1723 PDB CREDO	0.584	0.198	0.549	0.005
Rv1652_2nqt_A	14	1uwh_BAX_A_1723 PDB CREDO	0.582	0.201	0.547	0.005
Rv1652_2nqt_A	5	3nrr_D16_A_520 PDB CREDO	0.592	0.188	0.543	0.006
Rv1652_2nqt_A	14	3q70_RIT_A_2001 PDB CREDO	0.596	0.184	0.543	0.006
Rv1652_2nqt_A	14	2y6o_1N1_A_1892 PDB CREDO	0.559	0.231	0.542	0.006
Rv1652_2nqt_A	5	1jip_KTN_A_801 PDB CREDO	0.563	0.226	0.540	0.006
Rv1652_2nqt_A	5	1udu_CIA_B_2003 PDB CREDO	0.562	0.227	0.539	0.006
Rv1652_2nqt_A	5	2iyf_ERY_B_1399 PDB CREDO	0.558	0.233	0.535	0.006
Rv1652_2nqt_A	5	1mx1_THA_A_1 PDB CREDO	0.534	0.267	0.534	0.007
Rv1652_2nqt_A	5	1bx4_ADN_A_350 PDB CREDO	0.579	0.205	0.531	0.007
Rv1652_2nqt_A	5	1fj8_CER_A_500 PDB CREDO	0.531	0.271	0.531	0.007
Rv1652_2nqt_A	5	1udt_VIA_A_1000 PDB CREDO	0.604	0.174	0.530	0.007
Rv1652_2nqt_A	5	3sxr_1N1_B_2 PDB CREDO	0.575	0.210	0.530	0.007
Rv1652_2nqt_A	5	1xot_VDN_A_101 PDB CREDO	0.551	0.242	0.528	0.007
Rv1652_2nqt_A	5	3sxr_1N1_A_1 PDB CREDO	0.597	0.183	0.528	0.007
Rv1652_2nqt_A	5	1xos_VIA_A_1 PDB CREDO	0.550	0.243	0.527	0.007
Rv1652_2nqt_A	5	1fj8_CER_D_500 PDB CREDO	0.527	0.278	0.527	0.007
Rv1652_2nqt_A	5	3vri_1KX_A_301 PDB CREDO	0.594	0.186	0.525	0.007
Rv1652_2nqt_A	5	2w9s_TOP_D_1158 PDB CREDO	0.525	0.280	0.525	0.007
Rv1652_2nqt_A	5	3nrr_D16_B_530 PDB CREDO	0.569	0.218	0.524	0.008
Rv1652_2nqt_A	5	1jin_KTN_A_801 PDB CREDO	0.591	0.190	0.523	0.008
Rv1652_2nqt_A	5	1fj8_CER_C_500 PDB CREDO	0.523	0.283	0.523	0.008
Rv1652_2nqt_A	5	2ydo_ADN_A_400 PDB CREDO	0.570	0.217	0.523	0.008
Rv1652_2nqt_A	5	3tbg_RTZ_A_1 PDB CREDO	0.523	0.283	0.523	0.008
Rv1652_2nqt_A	5	1fj8_CER_B_500 PDB CREDO	0.522	0.284	0.522	0.008
Rv1652_2nqt_A	5	3tmz_06X_A_503 PDB CREDO	0.543	0.254	0.520	0.008
Rv1652_2nqt_A	5	2iyf_ERY_A_1400 PDB CREDO	0.565	0.224	0.520	0.008
Rv1652_2nqt_A	14	3tkd_CYZ_A_266 PDB CREDO	0.520	0.288	0.520	0.008
Rv1652_2nqt_A	5	3adx_IMN_B_3 PDB CREDO	0.564	0.225	0.519	0.008
Rv1652_2nqt_A	5	1a27_EST_A_350 PDB CREDO	0.610	0.167	0.519	0.008
Rv1652_2nqt_A	5	1z9h_IMN_B_381 PDB CREDO	0.541	0.256	0.519	0.008
Rv1652_2nqt_A	5	3clb_TMQ_A_611 PDB CREDO	0.563	0.226	0.517	0.008
Rv1652_2nqt_A	5	3hbb_TMQ_C_613 PDB CREDO	0.563	0.226	0.517	0.008
Rv1652_2nqt_A	5	1z9h_IMN_C_379 PDB CREDO	0.538	0.260	0.516	0.009
Rv1652_2nqt_A	5	1z9h_IMN_D_476 PDB CREDO	0.538	0.260	0.516	0.009
Rv1652_2nqt_A	5	3kw2_ADN_B_300 PDB CREDO	0.582	0.201	0.515	0.009
Rv1652_2nqt_A	5	1z9h_IMN_A_379 PDB CREDO	0.537	0.263	0.514	0.009
Rv1652_2nqt_A	14	1uwj_BAX_B_1723 PDB CREDO	0.580	0.203	0.514	0.009
Rv1652_2nqt_A	5	2ayl_FLP_B_2701 PDB CREDO	0.535	0.265	0.514	0.009
Rv1652_2nqt_A	5	3mdv_CL6_A_506 PDB CREDO	0.612	0.165	0.513	0.009
Rv1652_2nqt_A	5	1eqh_FLP_A_701 PDB CREDO	0.535	0.266	0.512	0.009
Rv1652_2nqt_A	14	2fum_MIX_D_3539 PDB CREDO	0.601	0.177	0.510	0.009
Rv1652_2nqt_A	5	1eqh_FLP_B_1701 PDB CREDO	0.532	0.270	0.510	0.009
Rv1652_2nqt_A	5	1kvl_CLS_A_371 PDB CREDO	0.580	0.204	0.509	0.010
Rv1652_2nqt_A	5	3pgh_FLP_D_701 PDB CREDO	0.531	0.271	0.509	0.010
Rv1652_2nqt_A	14	3so9_017_A_100 PDB CREDO	0.539	0.260	0.506	0.010
Rv1652_2nqt_A	5	1fds_EST_A_350 PDB CREDO	0.528	0.275	0.506	0.010
Rv1652_2nqt_A	5	1hk2_T44_A_3003 PDB CREDO	0.506	0.309	0.506	0.010
Rv1652_2nqt_A	5	1wu8_ADN_B_501 PDB CREDO	0.506	0.309	0.506	0.010
Rv1652_2nqt_A	5	1xp0_VDN_A_201 PDB CREDO	0.527	0.277	0.505	0.010
Rv1652_2nqt_A	5	3n0h_TOP_A_187 PDB CREDO	0.551	0.243	0.505	0.010
Rv1652_2nqt_A	14	3tkd_CYZ_B_267 PDB CREDO	0.537	0.262	0.505	0.010
Rv1652_2nqt_A	5	1cqe_FLP_A_1650 PDB CREDO	0.525	0.279	0.504	0.010
Rv1652_2nqt_A	5	1cqe_FLP_B_2650 PDB CREDO	0.525	0.279	0.504	0.010
Rv1652_2nqt_A	5	2bxf_DZP_A_2001 PDB CREDO	0.600	0.178	0.504	0.010
Rv1652_2nqt_A	5	2bxf_DZP_B_2001 PDB CREDO	0.599	0.180	0.503	0.010
Rv1652_2nqt_A	5	3nrr_D16_A_530 PDB CREDO	0.525	0.281	0.503	0.010
Rv1652_2nqt_A	14	1lhv_NOG_A_301 PDB CREDO	0.517	0.292	0.501	0.011
Rv1652_2nqt_A	5	3mdz_EZL_A_264 PDB CREDO	0.523	0.284	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
NADPPubChem	0.992	744.413
N-acetyl-L-glutamic acid gamma-semialdehydePubChem	0.986	173.167
N-acetyl-L-glutamyl-5-phosphatePubChem	0.973	269.146
N-acetylglutamyl-phosphatePubChem	0.973	269.146
acetylornithinePubChem	0.971	174.198
N-acetylglutamatePubChem	0.969	189.166
glutamatePubChem	0.94	147.129
phosphatePubChem	0.916	96.9872
adenosine triphosphatePubChem	0.905	507.181
NADP(H)PubChem	0.9	745.421
deuteriumPubChem	0.9	2.01588
Bis-TrisPubChem	0.9	209.24
protiumPubChem	0.9	2.01576
alpha-ketoglutaratePubChem	0.9	146.098
adenosine diphosphatePubChem	0.9	427.201
H(+)PubChem	0.9	2.01588
selenomethioninePubChem	0.788	196.106
SeMetPubChem	0.788	196.106
3bpPubChem	0.723	592.709
hydron sulfatePubChem	0.702	196.157
sulfatePubChem	0.702	96.0626