SInCRe - Rv2386c

Tuberculist information

Gene name	mbtI
Protein function	Isochorismate synthase MbtI
Functional category(tuberculist)	lipid metabolism
Gene location(kb)	2678.65
Molecular mass(da)	48722.3
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 450

	  		  	1    VSELSVATGAVSTASSSIPMPAGVNPADLAAELAAVVTESVDEDYLLYECDGQWVLAAGV   60
			  	61   QAMVELDSDELRVIRDGVTRRQQWSGRPGAALGEAVDRLLLETDQAFGWVAFEFGVHRYG  120
			  	121  LQQRLAPHTPLARVFSPRTRIMVSEKEIRLFDAGIRHREAIDRLLATGVREVPQSRSVDV  180
			  	181  SDDPSGFRRRVAVAVDEIAAGRYHKVILSRCVEVPFAIDFPLTYRLGRRHNTPVRSFLLQ  240
			  	241  LGGIRALGYSPELVTAVRADGVVITEPLAGTRALGRGPAIDRLARDDLESNSKEIVEHAI  300
			  	301  SVRSSLEEITDIAEPGSAAVIDFMTVRERGSVQHLGSTIRARLDPSSDRMAALEALFPAV  360
			  	361  TASGIPKAAGVEAIFRLDECPRGLYSGAVVMLSADGGLDAALTLRAAYQVGGRTWLRAGA  420
			  	421  GIIEESEPEREFEETCEKLSTLTPYLVARQ

Known structures in the PDB

	PDB ID	2G5F
	Total residue count	1800
	Number of chains	4
	Method	X-RAY
	Resolution	1.8

	PDB ID	2I6Y
	Total residue count	470
	Number of chains	1
	Method	X-RAY
	Resolution	2.5

	PDB ID	3LOG
	Total residue count	1804
	Number of chains	4
	Method	X-RAY
	Resolution	1.73

	PDB ID	3RV6
	Total residue count	900
	Number of chains	2
	Method	X-RAY
	Resolution	2.04

	PDB ID	3RV7
	Total residue count	1800
	Number of chains	4
	Method	X-RAY
	Resolution	2.5

	PDB ID	3RV8
	Total residue count	1800
	Number of chains	4
	Method	X-RAY
	Resolution	2.29

	PDB ID	3RV9
	Total residue count	1800
	Number of chains	4
	Method	X-RAY
	Resolution	2.14

	PDB ID	3ST6
	Total residue count	1800
	Number of chains	4
	Method	X-RAY
	Resolution	1.75

	PDB ID	3VEH
	Total residue count	1804
	Number of chains	4
	Method	X-RAY
	Resolution	2

Number of amino acids : 450

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
Chorismate_bind	PF00425	183-438

Mtb Structural Proteome models

Model Number	1
Model name	Rv2386c_2g5f_A
Template	2G5F APDB CREDO
Template coverage	15_449
Template Identity(%)	100.0
Model coverage(%)	96.4
Normalized DOPE score	-1.461

Model Number	2
Model name	Rv2386c
Template	2FN0 APDB CREDO
Template coverage	20_433
Template Identity(%)	38.4
Model coverage(%)	92.0
Normalized DOPE score	-0.414

Structure Models from Chopin

Model Number	1
Profile	d.161.1.1 - 3.60.120.10 Click for model details
zscore	62.09
Residue begin	1
Residue end	450

Binding pockets

STRING

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

Protein interacting with Rv2386c	Gene name	Confidence Score
Rv2383c	mbtB	0.994
Rv2383c	mbtB	0.994
Rv2383c	mbtB	0.994
Rv2383c	mbtB	0.994
Rv2383c	mbtB	0.994
Rv2383c	mbtB	0.994
Rv2192c	trpD	0.992
Rv2192c	trpD	0.992
Rv2384	mbtA	0.979
Rv0013	trpG	0.979
Rv2384	mbtA	0.979
Rv3215	entC	0.951
Rv2540c	aroF	0.917
Rv1609	trpE	0.903
Rv1609	trpE	0.903

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
pyruvic acidPubChem	0.995	88.0621
chorismatePubChem	0.986	226.183
isochorismatePubChem	0.985	226.183
phosphatePubChem	0.963	96.9872
anthranilic acidPubChem	0.96	137.136
phosphoribosylpyrophosphatePubChem	0.927	390.07
deuteriumPubChem	0.907	2.01588
glutaminPubChem	0.9	146.145
polyglutaminePubChem	0.9	146.145
protiumPubChem	0.9	2.01576
5-enolpyruvylshikimate-3-phosphatePubChem	0.9	324.178
N-(5'-phosphoribosyl)anthranilatePubChem	0.9	349.23
glutamatePubChem	0.9	147.129
pyrophosphatePubChem	0.9	177.975
H(+)PubChem	0.9	2.01588
glycerolPubChem	0.9	92.0938
N-(5'-phosphoribosyl)-anthranilatePubChem	0.9	346.207
imidazolePubChem	0.9	68.0773
salicylic acidPubChem	0.897	138.121
mycobactin TPubChem	0.825	872.142
mycobactinPubChem	0.812	591.61
magnesiumPubChem	0.769	24.305