SInCRe - Rv1086

Tuberculist information

Gene name	Rv1086
Protein function	Short (C15) chain Z-isoprenyl diphosphate synthase (Z-FPP synthase) (Z-farnesyl diphosphate synthase) (Z-FPP synthetase) (Z-farnesyl diphosphate synthetase) (geranyltranstransferase) (farnesyl pyrophosphate synthetase)
Functional category(tuberculist)	cell wall and cell processes
Gene location(kb)	1210.59
Molecular mass(da)	29378.2
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 262

	  		  	1    VEIIPPRLKEPLYRLYELRLRQGLAASKSDLPRHIAVLCDGNRRWARSAGYDDVSYGYRM   60
			  	61   GAAKIAEMLRWCHEAGIELATVYLLSTENLQRDPDELAALIEIITDVVEEICAPANHWSV  120
			  	121  RTVGDLGLIGEEPARRLRGAVESTPEVASFHVNVAVGYGGRREIVDAVRALLSKELANGA  180
			  	181  TAEELVDAVTVEGISENLYTSGQPDPDLVIRTSGEQRLSGFLLWQSAYSEMWFTEAHWPA  240
			  	241  FRHVDFLRALRDYSARHRSYGR

Known structures in the PDB

	PDB ID	2VFW
	Total residue count	454
	Number of chains	2
	Method	X-RAY
	Resolution	2.3

	PDB ID	2VG0
	Total residue count	454
	Number of chains	2
	Method	X-RAY
	Resolution	1.7

	PDB ID	2VG1
	Total residue count	456
	Number of chains	2
	Method	X-RAY
	Resolution	1.7

Number of amino acids : 262

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
Prenyltransf	PF01255	38-262

Mtb Structural Proteome models

Model Number	1
Model name	Rv1086_2vg0_A
Template	2VG0 APDB CREDO
Template coverage	30_256
Template Identity(%)	100.0
Model coverage(%)	86.3
Normalized DOPE score	-2.3

Model Number	2
Model name	Rv1086
Template	1UEH APDB CREDO
Template coverage	19_239
Template Identity(%)	33.8
Model coverage(%)	85.1
Normalized DOPE score	-0.5

Structure Models from Chopin

Model Number	1
Profile	c.101.1.1 - 3.40.1180.10 Click for model details
zscore	40.83
Residue begin	26
Residue end	260

Binding pockets

STRING

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

Protein interacting with Rv1086	Gene name	Confidence Score
Rv3398c	idsA1	0.983
Rv2173	idsA2	0.959
Rv3383c	idsB	0.953
Rv2870c	dxr	0.947
Rv2870c	dxr	0.947
Rv2870c	dxr	0.947
Rv1745c	idi	0.941
Rv2361c	Rv2361c	0.936
Rv1110	lytB2	0.926
Rv3382c	lytB1	0.924

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv1086_2vg0_A	13	3hy7_097_A_801 PDB CREDO	0.524	0.282	0.524	0.008
Rv1086_2vg0_A	13	3hy7_097_B_801 PDB CREDO	0.520	0.288	0.520	0.008
Rv1086_2vg0_A	1	3glq_RAB_B_602 PDB CREDO	0.519	0.289	0.519	0.008
Rv1086_2vg0_A	1	3glq_RAB_A_602 PDB CREDO	0.518	0.291	0.518	0.008
Rv1086_2vg0_A	13	3kp3_AIC_B_2001 PDB CREDO	0.517	0.292	0.517	0.008
Rv1086_2vg0_A	1	3n58_ADN_C_500 PDB CREDO	0.510	0.303	0.510	0.009
Rv1086_2vg0_A	13	2f16_BO2_V_1401 PDB CREDO	0.566	0.222	0.509	0.010
Rv1086_2vg0_A	13	2f16_BO2_H_1400 PDB CREDO	0.562	0.228	0.505	0.010
Rv1086_2vg0_A	1	1i6v_RFP_C_1640 PDB CREDO	0.501	0.317	0.501	0.011

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
farnesyl diphosphatePubChem	0.998	382.326
geranyl diphosphatePubChem	0.998	314.209
isopentenyl diphosphatePubChem	0.994	246.092
sulfatePubChem	0.93	96.0626
phosphatePubChem	0.926	96.9872
hydron sulfatePubChem	0.925	196.157
hydron diphosphatePubChem	0.925	391.981
glycerolPubChem	0.9	92.0938
dimethylallyl diphosphatePubChem	0.83	246.092
isoprenePubChem	0.783	68.117
decaprenyl phosphatePubChem	0.715	779.165