SInCRe - Rv1131

Tuberculist information

Gene name	prpC
Protein function	Probable methylcitrate synthase PrpC
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	1256.13
Molecular mass(da)	42969.4
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 393

	  		  	1    MTGPLAAARSVAATKSMTAPTVDERPDIKKGLAGVVVDTTAISKVVPQTNSLTYRGYPVQ   60
			  	61   DLAARCSFEQVAFLLWRGELPTDAELALFSQRERASRRVDRSMLSLLAKLPDNCHPMDVV  120
			  	121  RTAISYLGAEDPDEDDAAANRAKAMRMMAVLPTIVAIDMRRRRGLPPIAPHSGLGYAQNF  180
			  	181  LHMCFGEVPETAVVSAFEQSMILYAEHGFNASTFAARVVTSTQSDIYSAVTGAIGALKGR  240
			  	241  LHGGANEAVMHDMIEIGDPANAREWLRAKLARKEKIMGFGHRVYRHGDSRVPTMKRALER  300
			  	301  VGTVRDGQRWLDIYQVLAAEMASATGILPNLDFPTGPAYYLMGFDIASFTPIFVMSRITG  360
			  	361  WTAHIMEQATANALIRPLSAYCGHEQRVLPGTF

Known structures in the PDB

	PDB ID	3HWK
	Total residue count	3312
	Number of chains	8
	Method	X-RAY
	Resolution	2.3

Number of amino acids : 393

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
Citrate_synt	PF00285	31-377

Mtb Structural Proteome models

Model Number	1
Model name	Rv1131_3hwk_A
Template	3HWK APDB CREDO
Template coverage	27_392
Template Identity(%)	100.0
Model coverage(%)	92.9
Normalized DOPE score	-1.717

Model Number	2
Model name	Rv1131
Template	1A59 APDB CREDO
Template coverage	3_378
Template Identity(%)	59.7
Model coverage(%)	92.6
Normalized DOPE score	-1.143

Structure Models from Chopin

Model Number	1
Profile	a.103.1.1 Click for model details
zscore	56.83
Residue begin	1
Residue end	393

Model Number	2
Profile	1.10.580.10 Click for model details
zscore	49.19
Residue begin	36
Residue end	282

Model Number	3
Profile	1.10.230.10 Click for model details
zscore	18.3
Residue begin	244
Residue end	342

Binding pockets

STRING

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

Protein interacting with Rv1131	Gene name	Confidence Score
Rv1130	prpD	0.997
Rv1240	mdh	0.996
Rv1240	mdh	0.996
Rv1475c	acn	0.996
Rv1475c	acn	0.996
Rv2967c	pca	0.983
Rv2967c	pca	0.983
Rv2967c	pca	0.983
Rv2967c	pca	0.983
Rv2967c	pca	0.983
Rv2967c	pca	0.983
Rv0211	pckA	0.955
Rv2495c	bkdC	0.955
Rv2495c	bkdC	0.955
Rv2495c	bkdC	0.955
Rv0467	icl1	0.945
Rv1837c	glcB	0.937
Rv2332	mez	0.936
Rv2332	mez	0.936
Rv3556c	fadA6	0.936
Rv3556c	fadA6	0.936
Rv2852c	mqo	0.936
Rv1617	pykA	0.934
Rv1617	pykA	0.934
Rv0350	dnaK	0.934
Rv3546	fadA5	0.929
Rv3546	fadA5	0.929
Rv2215	dlaT	0.926
Rv2215	dlaT	0.926
Rv2215	dlaT	0.926
Rv1323	fadA4	0.923
Rv1323	fadA4	0.923
Rv1074c	fadA3	0.922
Rv1074c	fadA3	0.922
Rv3523	ltp3	0.921
Rv0859	fadA	0.92
Rv0859	fadA	0.92
Rv0243	fadA2	0.911
Rv0243	fadA2	0.911
Rv0914c	Rv0914c	0.91
Rv0914c	Rv0914c	0.91
Rv1867	Rv1867	0.91

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
citratePubChem	0.987	192.124
oxaloacetatePubChem	0.964	132.072
coenzyme APubChem	0.963	767.534
Co-APubChem	0.958	767.534
glyoxylatePubChem	0.952	74.0355
acetyl-CoAPubChem	0.952	809.571
succinatePubChem	0.934	118.088
NAD+PubChem	0.92	663.425
phosphatePubChem	0.92	96.9872
cis-aconitatePubChem	0.917	174.108
pyruvic acidPubChem	0.917	88.0621
phosphoenolpyruvatePubChem	0.906	168.042
malatePubChem	0.904	134.087
reduced nicotinamide adenine dinucleotidePubChem	0.901	665.441
malyl coenzyme APubChem	0.9	883.606
hydron; succinatePubChem	0.9	119.096
acetyl coenzyme-APubChem	0.9	809.571
carbon dioxidePubChem	0.9	44.0095
dihydronicotinamide formycin dinucleotidePubChem	0.9	665.441
hydroxyl radicalsPubChem	0.9	17.0073
D-malatePubChem	0.9	134.087
protiumPubChem	0.9	2.01576
deuteriumPubChem	0.9	2.01588
H(+)PubChem	0.9	2.01588
formatePubChem	0.9	45.0174
malyl-CoAPubChem	0.9	883.606