SInCRe - Rv2122c

Tuberculist information

Gene name	hisE
Protein function	Phosphoribosyl-AMP pyrophosphatase HisE
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	2380.66
Molecular mass(da)	10242.5
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 93

	  		  	1    VQQSLAVKTFEDLFAELGDRARTRPADSTTVAALDGGVHALGKKLLEEAGEVWLAAEHES   60
			  	61   NDALAEEISQLLYWTQVLMISRGLSLDDVYRKL

Known structures in the PDB

Number of amino acids : 93

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
PRA-PH	PF01503	7-93

Mtb Structural Proteome models

Structure Models from Chopin

Binding pockets

STRING

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

Protein interacting with Rv2122c	Gene name	Confidence Score
Rv2121c	hisG	0.999
Rv2121c	hisG	0.999
Rv1606	hisI	0.996
Rv1603	hisA	0.925

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv2122c_1y6x_A	2	3k54_1N1_A_1 PDB CREDO	0.547	0.248	0.547	0.005
Rv2122c_1y6x_A	2	1lhu_EST_A_301 PDB CREDO	0.578	0.207	0.538	0.006
Rv2122c_1y6x_A	2	4eb4_D16_A_402 PDB CREDO	0.523	0.283	0.523	0.008
Rv2122c_1y6x_A	2	4eb4_D16_B_402 PDB CREDO	0.563	0.226	0.523	0.008
Rv2122c_1y6x_A	2	3kw2_ADN_A_300 PDB CREDO	0.538	0.261	0.519	0.008
Rv2122c_1y6x_A	2	3nrr_D16_B_530 PDB CREDO	0.625	0.150	0.516	0.009
Rv2122c_1y6x_A	2	2x9g_LYA_D_1270 PDB CREDO	0.574	0.212	0.515	0.009
Rv2122c_1y6x_A	2	4eyb_0WO_B_301 PDB CREDO	0.510	0.303	0.510	0.009
Rv2122c_1y6x_A	2	2fum_MIX_A_539 PDB CREDO	0.529	0.275	0.510	0.009
Rv2122c_1y6x_A	2	2x9g_LYA_C_1270 PDB CREDO	0.566	0.222	0.509	0.010
Rv2122c_1y6x_A	2	3oct_1N1_A_663 PDB CREDO	0.566	0.222	0.509	0.010
Rv2122c_1y6x_A	2	2gqg_1N1_A_501 PDB CREDO	0.525	0.281	0.506	0.010
Rv2122c_1y6x_A	2	4a97_ZPC_J_1318 PDB CREDO	0.525	0.281	0.506	0.010
Rv2122c_1y6x_A	2	2zbv_ADN_A_501 PDB CREDO	0.506	0.309	0.506	0.010
Rv2122c_1y6x_A	2	3aod_RFP_C_2002 PDB CREDO	0.505	0.311	0.505	0.010
Rv2122c_1y6x_A	2	1dwc_MIT_H_1 PDB CREDO	0.541	0.257	0.502	0.011
Rv2122c_1y6x_A	2	2h42_VIA_B_902 PDB CREDO	0.520	0.288	0.501	0.011
Rv2122c_1y6x_A	1	1p7r_NCT_A_440 PDB CREDO	0.601	0.178	0.501	0.011
Rv2122c_1y6x_A	2	3kw2_ADN_B_300 PDB CREDO	0.583	0.200	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
SeMetPubChem	0.968	196.106
selenomethioninePubChem	0.968	196.106
phosphoribosyl-ATPPubChem	0.965	719.276
phosphoribosyl-AMPPubChem	0.962	559.316
pyrophosphatePubChem	0.933	177.975
deuteriumPubChem	0.9	2.01588
H(+)PubChem	0.9	2.01588
C04896PubChem	0.9	577.331
protiumPubChem	0.9	2.01576
5-phosphoribosyl-ATPPubChem	0.9	714.236
hydroxyl radicalsPubChem	0.9	17.0073
phosphoribulosylformimino-AICAR-PPubChem	0.9	577.331
PRFARPubChem	0.9	577.331
N-(5-phospho-D-ribosyl)-AMPPubChem	0.9	559.316
phosphoribosyl-formimino-aicar-PPubChem	0.9	573.299