SInCRe - Rv1011

Tuberculist information

Gene name	ispE
Protein function	Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase)
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	1130.19
Molecular mass(da)	31349.6
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 306

	  		  	1    VPTGSVTVRVPGKVNLYLAVGDRREDGYHELTTVFHAVSLVDEVTVRNADVLSLELVGEG   60
			  	61   ADQLPTDERNLAWQAAELMAEHVGRAPDVSIMIDKSIPVAGGMAGGSADAAAVLVAMNSL  120
			  	121  WELNVPRRDLRMLAARLGSDVPFALHGGTALGTGRGEELATVLSRNTFHWVLAFADSGLL  180
			  	181  TSAVYNELDRLREVGDPPRLGEPGPVLAALAAGDPDQLAPLLGNEMQAAAVSLDPALARA  240
			  	241  LRAGVEAGALAGIVSGSGPTCAFLCTSASSAIDVGAQLSGAGVCRTVRVATGPVPGARVV  300
			  	301  SAPTEV

Known structures in the PDB

	PDB ID	3PYD
	Total residue count	306
	Number of chains	1
	Method	X-RAY
	Resolution	2.1

	PDB ID	3PYE
	Total residue count	306
	Number of chains	1
	Method	X-RAY
	Resolution	2

	PDB ID	3PYF
	Total residue count	306
	Number of chains	1
	Method	X-RAY
	Resolution	1.7

	PDB ID	3PYG
	Total residue count	306
	Number of chains	1
	Method	X-RAY
	Resolution	1.99

Number of amino acids : 306

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
GHMP_kinases_N	PF00288	90-148
GHMP_kinases_C	PF08544	206-284

Mtb Structural Proteome models

Model Number	1
Model name	Rv1011
Template	1UEK APDB CREDO
Template coverage	5_258
Template Identity(%)	36.2
Model coverage(%)	88.9
Normalized DOPE score	0.019

Structure Models from Chopin

Model Number	1
Profile	d.58.26.5 Click for model details
zscore	17.35
Residue begin	164
Residue end	299

Binding pockets

STRING

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

Protein interacting with Rv1011	Gene name	Confidence Score
Rv3582c	ispD	0.999
Rv3581c	ispF	0.998
Rv1010	ksgA	0.995
Rv2868c	gcpE	0.969
Rv2682c	dxs1	0.964
Rv2682c	dxs1	0.964
Rv2682c	dxs1	0.964
Rv1110	lytB2	0.956
Rv1017c	prsA	0.95
Rv1017c	prsA	0.95

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
4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritolPubChem	0.996	521.307
C11436PubChem	0.9	601.287
glycerolPubChem	0.835	92.0938
fosmidomycinPubChem	0.832	183.1
2-C-methyl-D-erythritol-2,4-cyclopyrophosphatePubChem	0.814	278.091
cytidinePubChem	0.786	243.217
cytosine arabinosidePubChem	0.741	243.217
adenosine diphosphatePubChem	0.728	427.201
sulfatePubChem	0.713	96.0626
chloridePubChem	0.708	35.453