SInCRe - Rv2498c

Tuberculist information

Gene name	citE
Protein function	Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase)
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	2812.35
Molecular mass(da)	28885.8
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 273

	  		  	1    MNLRAAGPGWLFCPADRPERFAKAAAAADVVILDLEDGVAEAQKPAARNALRDTPLDPER   60
			  	61   TVVRINAGGTADQARDLEALAGTAYTTVMLPKAESAAQVIELAPRDVIALVETARGAVCA  120
			  	121  AEIAAADPTVGMMWGAEDLIATLGGSSSRRADGAYRDVARHVRSTILLAASAFGRLALDA  180
			  	181  VHLDILDVEGLQEEARDAAAVGFDVTVCIHPSQIPVVRKAYRPSHEKLAWARRVLAASRS  240
			  	241  ERGAFAFEGQMVDSPVLTHAETMLRRAGEATSE

Known structures in the PDB

	PDB ID	1U5H
	Total residue count	273
	Number of chains	1
	Method	X-RAY
	Resolution	1.65

	PDB ID	1U5V
	Total residue count	273
	Number of chains	1
	Method	X-RAY
	Resolution	1.85

	PDB ID	1Z6K
	Total residue count	293
	Number of chains	1
	Method	X-RAY
	Resolution	2.3

Number of amino acids : 273

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
HpcH_HpaI	PF03328	10-211

Mtb Structural Proteome models

Model Number	1
Model name	Rv2498c_1u5h_A
Template	1U5H APDB CREDO
Template coverage	1_223
Template Identity(%)	100.0
Model coverage(%)	81.3
Normalized DOPE score	-1.32

Model Number	2
Model name	Rv2498c
Template	1U5H APDB CREDO
Template coverage	1_222
Template Identity(%)	98.2
Model coverage(%)	81.0
Normalized DOPE score	-1.32

Structure Models from Chopin

Model Number	1
Profile	c.1.12.5 - 3.20.20.60 Click for model details
zscore	24.86
Residue begin	1
Residue end	272

Binding pockets

STRING

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

Protein interacting with Rv2498c	Gene name	Confidence Score
Rv2499c	Rv2499c	0.994
Rv1240	mdh	0.963
Rv1240	mdh	0.963
Rv2967c	pca	0.951
Rv2967c	pca	0.951
Rv2967c	pca	0.951
Rv2967c	pca	0.951
Rv2967c	pca	0.951
Rv2967c	pca	0.951
Rv1475c	acn	0.919
Rv1475c	acn	0.919
Rv0896	gltA2	0.91
Rv2503c	scoB	0.905

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv2498c_1u5h_A	1	1kij_NOV_B_444 PDB CREDO	0.571	0.215	0.571	0.004
Rv2498c_1u5h_A	1	2y7j_B49_B_1294 PDB CREDO	0.598	0.182	0.531	0.007
Rv2498c_1u5h_A	1	2fum_MIX_C_2539 PDB CREDO	0.560	0.230	0.518	0.008

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
oxaloacetatePubChem	0.997	132.072
formatePubChem	0.98	45.0174
citratePubChem	0.95	192.124
magnesiumPubChem	0.937	24.305
acetatePubChem	0.923	59.044
selenomethioninePubChem	0.9	196.106
SeMetPubChem	0.9	196.106
adenosine triphosphatePubChem	0.9	507.181