SInCRe - Rv1656

Tuberculist information

Gene name	argF
Protein function	Probable ornithine carbamoyltransferase, anabolic ArgF
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	1869.92
Molecular mass(da)	33025.2
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 307

	  		  	1    VIRHFLRDDDLSPAEQAEVLELAAELKKDPVSRRPLQGPRGVAVIFDKNSTRTRFSFELG   60
			  	61   IAQLGGHAVVVDSGSTQLGRDETLQDTAKVLSRYVDAIVWRTFGQERLDAMASVATVPVI  120
			  	121  NALSDEFHPCQVLADLQTIAERKGALRGLRLSYFGDGANNMAHSLLLGGVTAGIHVTVAA  180
			  	181  PEGFLPDPSVRAAAERRAQDTGASVTVTADAHAAAAGADVLVTDTWTSMGQENDGLDRVK  240
			  	241  PFRPFQLNSRLLALADSDAIVLHCLPAHRGDEITDAVMDGPASAVWDEAENRLHAQKALL  300
			  	301  VWLLERS

Known structures in the PDB

	PDB ID	2I6U
	Total residue count	921
	Number of chains	3
	Method	X-RAY
	Resolution	2.2

	PDB ID	2P2G
	Total residue count	1842
	Number of chains	6
	Method	X-RAY
	Resolution	2.7

Number of amino acids : 307

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
OTCace_N	PF02729	3-142
OTCace	PF00185	147-303

Mtb Structural Proteome models

Model Number	1
Model name	Rv1656_2i6u_A
Template	2I6U APDB CREDO
Template coverage	1_307
Template Identity(%)	100.0
Model coverage(%)	99.7
Normalized DOPE score	-1.828

Model Number	2
Model name	Rv1656
Template	1PVV APDB CREDO
Template coverage	7_309
Template Identity(%)	50.0
Model coverage(%)	98.0
Normalized DOPE score	-1.044

Structure Models from Chopin

Model Number	1
Profile	c.78.1.1 Click for model details
zscore	30.82
Residue begin	147
Residue end	303

Model Number	2
Profile	3.40.50.1370 Click for model details
zscore	19.4
Residue begin	1
Residue end	307

Binding pockets

STRING

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

Protein interacting with Rv1656	Gene name	Confidence Score
Rv1383	carA	0.999
Rv1657	argR	0.999
Rv1383	carA	0.999
Rv1657	argR	0.999
Rv1652	argC	0.999
Rv1658	argG	0.999
Rv1652	argC	0.999
Rv1653	argJ	0.999
Rv1384	carB	0.998
Rv1384	carB	0.998
Rv1659	argH	0.998
Rv1001	arcA	0.998
Rv1384	carB	0.998
Rv1659	argH	0.998
Rv1654	argB	0.998
Rv1384	carB	0.998
Rv1655	argD	0.997
Rv2427c	proA	0.98
Rv0993	galU	0.98
Rv0006	gyrA	0.972
Rv0006	gyrA	0.972
Rv0682	rpsL	0.969
Rv0620	galK	0.965
Rv0620	galK	0.965
Rv0620	galK	0.965
Rv2756c	hsdM	0.96
Rv2756c	hsdM	0.96
Rv1380	pyrB	0.957
Rv1380	pyrB	0.957
Rv0382c	pyrE	0.956
Rv2528c	mrr	0.948
Rv2528c	mrr	0.948
Rv2322c	rocD1	0.94
Rv2747	argA	0.931
Rv3709c	ask	0.929
Rv3709c	ask	0.929
Rv3709c	ask	0.929
Rv2321c	rocD2	0.927
Rv1293	lysA	0.924
Rv1293	lysA	0.924
Rv0357c	purA	0.922
Rv1617	pykA	0.918
Rv1617	pykA	0.918
Rv1381	pyrC	0.917
Rv2139	pyrD	0.916
Rv0772	purD	0.915
Rv0772	purD	0.915
Rv0772	purD	0.915
Rv1292	argS	0.914
Rv1292	argS	0.914
Rv1292	argS	0.914
Rv2538c	aroB	0.91
Rv3846	sodA	0.909
Rv3846	sodA	0.909
Rv0973c	accA2	0.908
Rv0973c	accA2	0.908
Rv0973c	accA2	0.908
Rv0973c	accA2	0.908
Rv2439c	proB	0.902
Rv2439c	proB	0.902

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv1656_2i6u_A	4	1hwi_115_A_2 PDB CREDO	0.680	0.097	0.636	0.001
Rv1656_2i6u_A	4	1hwi_115_C_4 PDB CREDO	0.647	0.127	0.625	0.001
Rv1656_2i6u_A	4	2xpv_MIY_A_1209 PDB CREDO	0.646	0.128	0.603	0.002
Rv1656_2i6u_A	4	1hwl_FBI_D_3 PDB CREDO	0.769	0.038	0.595	0.002
Rv1656_2i6u_A	4	1hwi_115_B_1 PDB CREDO	0.701	0.080	0.595	0.002
Rv1656_2i6u_A	4	1hwl_FBI_B_1 PDB CREDO	0.768	0.038	0.594	0.002
Rv1656_2i6u_A	4	1hwk_117_D_3 PDB CREDO	0.745	0.051	0.594	0.002
Rv1656_2i6u_A	4	1hwl_FBI_C_4 PDB CREDO	0.760	0.043	0.588	0.003
Rv1656_2i6u_A	4	1hwi_115_D_3 PDB CREDO	0.692	0.087	0.587	0.003
Rv1656_2i6u_A	4	3n58_ADN_A_500 PDB CREDO	0.628	0.147	0.586	0.003
Rv1656_2i6u_A	4	1hwl_FBI_A_2 PDB CREDO	0.757	0.044	0.586	0.003
Rv1656_2i6u_A	4	1ict_T44_D_129 PDB CREDO	0.765	0.040	0.570	0.004
Rv1656_2i6u_A	4	1hwk_117_C_4 PDB CREDO	0.755	0.045	0.567	0.004
Rv1656_2i6u_A	4	1hwk_117_A_2 PDB CREDO	0.755	0.045	0.567	0.004
Rv1656_2i6u_A	4	2xpw_OTC_A_222 PDB CREDO	0.722	0.065	0.559	0.004
Rv1656_2i6u_A	4	1hwk_117_B_1 PDB CREDO	0.783	0.032	0.554	0.005
Rv1656_2i6u_A	4	2vke_TAC_A_222 PDB CREDO	0.715	0.070	0.554	0.005
Rv1656_2i6u_A	4	3q1e_T44_C_128 PDB CREDO	0.663	0.112	0.534	0.006
Rv1656_2i6u_A	4	3g1u_ADN_A_438 PDB CREDO	0.714	0.071	0.532	0.007
Rv1656_2i6u_A	4	3g1u_ADN_B_438 PDB CREDO	0.714	0.071	0.532	0.007
Rv1656_2i6u_A	4	3ut5_LOC_D_502 PDB CREDO	0.624	0.152	0.529	0.007
Rv1656_2i6u_A	4	3ut5_LOC_B_502 PDB CREDO	0.661	0.114	0.527	0.007
Rv1656_2i6u_A	4	3f4x_KLT_A_300 PDB CREDO	0.651	0.124	0.524	0.008
Rv1656_2i6u_A	4	2o7o_DXT_A_222 PDB CREDO	0.727	0.062	0.520	0.008
Rv1656_2i6u_A	4	2trt_TAC_A_222 PDB CREDO	0.727	0.062	0.520	0.008
Rv1656_2i6u_A	4	1ynn_RFP_C_1120 PDB CREDO	0.573	0.212	0.516	0.009
Rv1656_2i6u_A	4	3gy3_PNT_A_246 PDB CREDO	0.553	0.239	0.516	0.009
Rv1656_2i6u_A	4	3ce6_ADN_B_500 PDB CREDO	0.614	0.163	0.513	0.009
Rv1656_2i6u_A	4	3g1u_ADN_C_438 PDB CREDO	0.614	0.163	0.513	0.009
Rv1656_2i6u_A	4	3g1u_ADN_D_438 PDB CREDO	0.636	0.138	0.513	0.009
Rv1656_2i6u_A	4	3ce6_ADN_C_500 PDB CREDO	0.612	0.165	0.512	0.009
Rv1656_2i6u_A	4	3n58_ADN_D_500 PDB CREDO	0.612	0.165	0.512	0.009
Rv1656_2i6u_A	4	3ce6_ADN_A_500 PDB CREDO	0.611	0.166	0.511	0.009
Rv1656_2i6u_A	4	3ce6_ADN_D_500 PDB CREDO	0.610	0.167	0.510	0.009
Rv1656_2i6u_A	4	3mg0_BO2_N_1404 PDB CREDO	0.731	0.059	0.503	0.010
Rv1656_2i6u_A	4	3tkd_CYZ_A_266 PDB CREDO	0.590	0.192	0.500	0.011
Rv1656_2i6u_A	14	1t46_STI_A_3 PDB CREDO	0.555	0.237	0.500	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
carbamoyl phosphatePubChem	0.999	141.02
citrullinePubChem	0.996	175.186
ornithinePubChem	0.994	132.161
argininosuccinatePubChem	0.991	290.273
acetylornithinePubChem	0.987	174.198
norvalinePubChem	0.984	117.146
L-norvalinePubChem	0.981	117.146
ammoniaPubChem	0.979	17.0305
phosphatePubChem	0.978	96.9872
sulfatePubChem	0.975	96.0626
hydron sulfatePubChem	0.975	196.157
glutamatePubChem	0.974	147.129
L-argininePubChem	0.973	174.201
aspartatePubChem	0.97	133.103
argininosuccinic acidPubChem	0.966	290.273
N-acetylglutamatePubChem	0.964	189.166
glutamate gamma-semialdehydePubChem	0.94	131.13
alpha-ketoglutaratePubChem	0.937	146.098
glutamate semialdehydePubChem	0.932	131.13
arginino-succinatePubChem	0.92	290.273
argininPubChem	0.919	174.201
adenosine triphosphatePubChem	0.915	507.181
H(+)PubChem	0.915	2.01588
deuteriumPubChem	0.914	2.01588
acetatePubChem	0.908	59.044
polyglutaminePubChem	0.905	146.145
bicarbonatePubChem	0.905	62.0248
adenosine monophosphatePubChem	0.904	347.221
adenosine diphosphatePubChem	0.9	427.201
urea solutionPubChem	0.9	60.0553
potassium aspartatePubChem	0.9	133.103
protiumPubChem	0.9	2.01576
hydroxyl radicalsPubChem	0.9	17.0073
citrullinPubChem	0.9	175.186
glutaminPubChem	0.9	146.145
pyrophosphatePubChem	0.9	177.975
carbon dioxidePubChem	0.9	44.0095
N-(phosphonoacetyl)-L-ornithinePubChem	0.847	254.178
N-delta-(phosphonoacetyl)-L-ornithinePubChem	0.837	254.178
orotic acidPubChem	0.8	156.096
benzoic acidPubChem	0.747	121.113
magnesiumPubChem	0.729	24.305
pyrroline-5-carboxylatePubChem	0.724	113.115