SInCRe - Rv3275c

Tuberculist information

Gene name	purE
Protein function	Probable phosphoribosylaminoimidazole carboxylase catalytic subunit PurE (air carboxylase) (AIRC)
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	3658.11
Molecular mass(da)	17674.5
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 174

	  		  	1    MTPAGERPRVGVIMGSDSDWPVMADAAAALAEFDIPAEVRVVSAHRTPEAMFSYARGAAE   60
			  	61   RGLEVIIAGAGGAAHLPGMVAAATPLPVIGVPVPLGRLDGLDSLLSIVQMPAGVPVATVS  120
			  	121  IGGAGNAGLLAVRMLGAANPQLRARIVAFQDRLADVVAAKDAELQRLAGKLTRD

Known structures in the PDB

	PDB ID	3LP6
	Total residue count	696
	Number of chains	4
	Method	X-RAY
	Resolution	1.7

Number of amino acids : 174

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
AIRC	PF00731	8-157

Mtb Structural Proteome models

Model Number	1
Model name	Rv3275c_3lp6_A
Template	3LP6 APDB CREDO
Template coverage	6_169
Template Identity(%)	100.0
Model coverage(%)	93.7
Normalized DOPE score	-1.28

Model Number	2
Model name	Rv3275c
Template	1O4V APDB CREDO
Template coverage	2_164
Template Identity(%)	59.5
Model coverage(%)	93.1
Normalized DOPE score	-1.011

Structure Models from Chopin

Model Number	1
Profile	c.23.8.1 - 3.40.50.7700 Click for model details
zscore	37.91
Residue begin	1
Residue end	174

Binding pockets

STRING

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

Protein interacting with Rv3275c	Gene name	Confidence Score
Rv0772	purD	0.999
Rv3276c	purK	0.999
Rv0772	purD	0.999
Rv0772	purD	0.999
Rv0780	purC	0.997
Rv0957	purH	0.996
Rv0808	purF	0.996
Rv0808	purF	0.996
Rv0956	purN	0.996
Rv0957	purH	0.996
Rv0809	purM	0.995
Rv0809	purM	0.995
Rv0788	purQ	0.993
Rv0803	purL	0.965
Rv0803	purL	0.965
Rv0389	purT	0.961
Rv1380	pyrB	0.96
Rv1380	pyrB	0.96
Rv0777	purB	0.957
Rv0777	purB	0.957
Rv3396c	guaA	0.955
Rv3396c	guaA	0.955
Rv3396c	guaA	0.955
Rv1599	hisD	0.954
Rv0357c	purA	0.951
Rv3356c	folD	0.949
Rv3356c	folD	0.949
Rv0787A	Rv0787A	0.937
Rv2139	pyrD	0.933
Rv2540c	aroF	0.925
Rv1383	carA	0.916
Rv1383	carA	0.916
Rv2439c	proB	0.913
Rv2439c	proB	0.913

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv3275c_3lp6_A	7	2wd9_IBP_A_1570 PDB CREDO	0.582	0.202	0.510	0.009

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
5-aminoimidazole ribonucleotidePubChem	0.993	295.186
5-amino-4-imidazolecarboxylic acid ribonucleotidePubChem	0.98	339.196
formatePubChem	0.975	45.0174
N5-CAIRPubChem	0.959	339.196
phosphoribosylaminoimidazolePubChem	0.954	294.178
glycerolPubChem	0.901	92.0938
C15667PubChem	0.9	339.196
deuteriumPubChem	0.9	2.01588
H(+)PubChem	0.9	2.01588
carbon dioxidePubChem	0.9	44.0095
protiumPubChem	0.9	2.01576
5-aminoimidazole ribonucleotide carboxylasePubChem	0.873	340.184
4-carboxy-5-aminoimidazole ribonucleotidePubChem	0.853	340.184
selenomethioninePubChem	0.798	196.106
SeMetPubChem	0.798	196.106
sulfatePubChem	0.796	96.0626
hydron sulfatePubChem	0.788	196.157
phosphatePubChem	0.77	96.9872
[(2R,3S,4R,5R)-5-(4-amino-1H-imidazol-3-ium-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphaPubChem	0.72	296.194
hydron diphosphatePubChem	0.709	391.981
fructose 6-phosphatePubChem	0.709	260.136
(4s)-2-Methyl-2,4-PentanediolPubChem	0.709	118.174
2-methyl-2,4-pentanediolPubChem	0.709	118.174
chloridePubChem	0.709	35.453