SInCRe - Rv2210c

Tuberculist information

Gene name	ilvE
Protein function	Branched-chain amino acid transaminase IlvE
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	2474.86
Molecular mass(da)	39666.1
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 368

	  		  	1    MTSGSLQFTVLRAVNPATDAQRESMLREPGFGKYHTDHMVSIDYAEGRGWHNARVIPYGP   60
			  	61   IELDPSAIVLHYAQEVFEGLKAYRWADGSIVSFRADANAARLRSSARRLAIPELPDAVFI  120
			  	121  ESLRQLIAVDKAWVPGAGGEEALYLRPFIFATEPGLGVRPATQYRYLLIASPAGAYFKGG  180
			  	181  IAPVSVWVSTEYVRACPGGTGAAKFGGNYAASLLAQAEAAENGCDQVVWLDAVERRYIEE  240
			  	241  MGGMNIFFVLGSGGSARLVTPELSGSLLPGITRDSLLQLAIDAGFAVEERRIDIDEWQKK  300
			  	301  AAAGEITEVFACGTAAVITPVARVRHGASEFRIADGQPGEVTMALRDTLTGIQRGTFADT  360
			  	361  HGWMARLG

Known structures in the PDB

	PDB ID	3HT5
	Total residue count	368
	Number of chains	1
	Method	X-RAY
	Resolution	1.9

Number of amino acids : 368

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
Aminotran_4	PF01063	93-349

Mtb Structural Proteome models

Model Number	1
Model name	Rv2210c_3ht5_A
Template	3HT5 APDB CREDO
Template coverage	34_368
Template Identity(%)	100.0
Model coverage(%)	90.8
Normalized DOPE score	-1.228

Model Number	2
Model name	Rv2210c
Template	2A1H APDB CREDO
Template coverage	6_365
Template Identity(%)	38.6
Model coverage(%)	95.4
Normalized DOPE score	-0.184

Structure Models from Chopin

Model Number	1
Profile	e.17.1.1 Click for model details
zscore	45.53
Residue begin	2
Residue end	368

Model Number	2
Profile	3.30.470.10 Click for model details
zscore	40.74
Residue begin	5
Residue end	188

Model Number	3
Profile	3.20.10.10 Click for model details
zscore	31.83
Residue begin	181
Residue end	353

Binding pockets

STRING

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

Protein interacting with Rv2210c	Gene name	Confidence Score
Rv0189c	ilvD	0.999
Rv3001c	ilvC	0.996
Rv3001c	ilvC	0.996
Rv3710	leuA	0.995
Rv3710	leuA	0.995
Rv3003c	ilvB1	0.994
Rv3003c	ilvB1	0.994
Rv3003c	ilvB1	0.994
Rv2995c	leuB	0.992
Rv2448c	valS	0.989
Rv2448c	valS	0.989
Rv2448c	valS	0.989
Rv1559	ilvA	0.984
Rv1559	ilvA	0.984
Rv2988c	leuC	0.978
Rv0041	leuS	0.972
Rv0041	leuS	0.972
Rv0041	leuS	0.972
Rv1536	ileS	0.971
Rv1536	ileS	0.971
Rv2225	panB	0.949
Rv2987c	leuD	0.94
Rv3709c	ask	0.911
Rv3709c	ask	0.911
Rv3709c	ask	0.911
Rv1602	hisH	0.911
Rv3708c	asd	0.909
Rv3708c	asd	0.909
Rv3002c	ilvN	0.905
Rv3002c	ilvN	0.905

Potential ligand/drug binding sites

No binding sites identified

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
alpha-ketoisovaleratePubChem	0.98	116.115
alpha-ketoisocaproatePubChem	0.979	130.142
L-isoleucinePubChem	0.978	131.173
alpha-ketoglutaratePubChem	0.978	146.098
L-valinePubChem	0.976	117.146
pyridoxamine 5'-phosphatePubChem	0.968	248.173
glutamatePubChem	0.963	147.129
L-leucinePubChem	0.962	131.173
alpha-keto-beta-methylvaleric acidPubChem	0.962	130.142
L-alaninePubChem	0.952	89.0932
pyridoxal phosphatePubChem	0.947	247.142
coenzyme APubChem	0.932	767.534
hydroxyl radicalsPubChem	0.902	17.0073
NAD+PubChem	0.9	663.425
(2R,3R)-2,3-dihydroxy-3-methylvaleratePubChem	0.9	148.157
Co-APubChem	0.9	767.534
alpha,beta-dihydroxyisovaleric acidPubChem	0.9	134.13
C04272PubChem	0.9	134.13
2-methylbutyryl-CoAPubChem	0.9	851.651
CHEBI:15477PubChem	0.9	851.651
pyruvic acidPubChem	0.9	88.0621
2,3-dihydroxy-3-methylpentanoic acidPubChem	0.9	148.157
(3S)-2-ammonio-3-methyl-valeratePubChem	0.9	131.173
dihydronicotinamide formycin dinucleotidePubChem	0.9	665.441
reduced nicotinamide adenine dinucleotidePubChem	0.9	665.441
2-oxo-3-methylpentanoatePubChem	0.9	130.142
isobutyryl-CoAPubChem	0.9	837.624
carbon dioxidePubChem	0.9	44.0095
alpha-methylbutyryl-CoAPubChem	0.9	851.651
gabapentinPubChem	0.87	171.237
4MVPubChem	0.818	116.158
pyridoxalPubChem	0.761	167.162
alpha-ketobutyratePubChem	0.745	102.089
glycerolPubChem	0.74	92.0938
hydron sulfatePubChem	0.74	196.157
sulfatePubChem	0.74	96.0626
PGUPubChem	0.716	378.272
PLP-GluPubChem	0.716	378.272