SInCRe - Rv1098c

Tuberculist information

Gene name	fum
Protein function	Probable fumarase Fum (fumarate hydratase)
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	1226.14
Molecular mass(da)	50141
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 474

	  		  	1    MAVDADSANYRIEHDTMGEVRVPAKALWRAQTQRAVENFPISGRGLERTQIRALGLLKGA   60
			  	61   CAQVNSDLGLLAPEKADAIIAAAAEIADGQHDDQFPIDVFQTGSGTSSNMNTNEVIASIA  120
			  	121  AKGGVTLHPNDDVNMSQSSNDTFPTATHIAATEAAVAHLIPALQQLHDALAAKALDWHTV  180
			  	181  VKSGRTHLMDAVPVTLGQEFSGYARQIEAGIERVRACLPRLGELAIGGTAVGTGLNAPDD  240
			  	241  FGVRVVAVLVAQTGLSELRTAANSFEAQAARDGLVEASGALRTIAVSLTKIANDIRWMGS  300
			  	301  GPLTGLAEIQLPDLQPGSSIMPGKVNPVLPEAVTQVAAQVIGNDAAIAWGGANGAFELNV  360
			  	361  YIPMMARNILESFKLLTNVSRLFAQRCIAGLTANVEHLRRLAESSPSIVTPLNSAIGYEE  420
			  	421  AAAVAKQALKERKTIRQTVIDRGLIGDRLSIEDLDRRLDVLAMAKAEQLDSDRL

Known structures in the PDB

	PDB ID	3NO9
	Total residue count	1900
	Number of chains	4
	Method	X-RAY
	Resolution	2.48

	PDB ID	4ADL
	Total residue count	1980
	Number of chains	4
	Method	X-RAY
	Resolution	2.2

	PDB ID	4ADM
	Total residue count	1980
	Number of chains	4
	Method	X-RAY
	Resolution	1.65

	PDB ID	4APA
	Total residue count	1896
	Number of chains	4
	Method	X-RAY
	Resolution	2.04

	PDB ID	4APB
	Total residue count	1896
	Number of chains	4
	Method	X-RAY
	Resolution	1.94

Number of amino acids : 474

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
Lyase_1	PF00206	18-342
FumaraseC_C	PF10415	408-466

Mtb Structural Proteome models

Model Number	1
Model name	Rv1098c_3no9_A
Template	3NO9 APDB CREDO
Template coverage	7_466
Template Identity(%)	100.0
Model coverage(%)	96.8
Normalized DOPE score	-1.129

Model Number	2
Model name	Rv1098c
Template	1VDK APDB CREDO
Template coverage	4_462
Template Identity(%)	49.6
Model coverage(%)	96.0
Normalized DOPE score	-0.488

Structure Models from Chopin

Model Number	1
Profile	a.127.1.1 Click for model details
zscore	46.48
Residue begin	6
Residue end	474

Model Number	2
Profile	1.10.275.10 Click for model details
zscore	16.25
Residue begin	11
Residue end	137

Binding pockets

STRING

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

Protein interacting with Rv1098c	Gene name	Confidence Score
Rv1240	mdh	0.993
Rv1240	mdh	0.993
Rv3319	sdhB	0.992
Rv3319	sdhB	0.992
Rv0952	sucD	0.991
Rv0952	sucD	0.991
Rv1553	frdB	0.989
Rv1553	frdB	0.989
Rv3846	sodA	0.989
Rv3846	sodA	0.989
Rv3318	sdhA	0.988
Rv3318	sdhA	0.988
Rv1552	frdA	0.979
Rv1552	frdA	0.979
Rv0951	sucC	0.971
Rv0951	sucC	0.971
Rv1475c	acn	0.968
Rv1475c	acn	0.968
Rv0248c	Rv0248c	0.959
Rv0248c	Rv0248c	0.959
Rv0247c	Rv0247c	0.944
Rv0247c	Rv0247c	0.944
Rv3316	sdhC	0.944
Rv3317	sdhD	0.939
Rv1308	atpA	0.935
Rv1308	atpA	0.935
Rv1308	atpA	0.935
Rv2725c	hflX	0.932
Rv2725c	hflX	0.932
Rv2215	dlaT	0.923
Rv2215	dlaT	0.923
Rv2215	dlaT	0.923
Rv1023	eno	0.921
Rv1023	eno	0.921
Rv1554	frdC	0.914

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
malatePubChem	0.987	134.087
fumaratePubChem	0.986	116.072
succinatePubChem	0.977	118.088
oxaloacetatePubChem	0.962	132.072
D-malatePubChem	0.949	134.087
NAD+PubChem	0.948	663.425
reduced nicotinamide adenine dinucleotidePubChem	0.941	665.441
hydroxyl radicalsPubChem	0.913	17.0073
deuteriumPubChem	0.909	2.01588
H(+)PubChem	0.908	2.01588
ubiquinol-1PubChem	0.9	252.306
ubiquinolPubChem	0.9	320.423
ubiquinonesPubChem	0.9	250.29
CoQPubChem	0.9	318.407
vitamin K2PubChem	0.9	308.414
dihydronicotinamide formycin dinucleotidePubChem	0.9	665.441
protiumPubChem	0.9	2.01576
malonatePubChem	0.887	104.061
citratePubChem	0.832	192.124
polyethylene glycolPubChem	0.757	62.0678
ethylene glycol; hydronPubChem	0.737	63.0758
Na(+)PubChem	0.727	22.9898
acetatePubChem	0.727	59.044
1,2,4,5-benzenetetracarboxylic acidPubChem	0.718	254.15
4Fe-4SPubChem	0.717	88.9179
aspartatePubChem	0.704	133.103