SInCRe - Rv3608c

Tuberculist information

Gene name	folP1
Protein function	Dihydropteroate synthase 1 FolP (DHPS 1) (dihydropteroate pyrophosphorylase 1) (dihydropteroate diphosphorylase 1)
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	4049.14
Molecular mass(da)	28810.9
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 280

	  		  	1    VSPAPVQVMGVLNVTDDSFSDGGCYLDLDDAVKHGLAMAAAGAGIVDVGGESSRPGATRV   60
			  	61   DPAVETSRVIPVVKELAAQGITVSIDTMRADVARAALQNGAQMVNDVSGGRADPAMGPLL  120
			  	121  AEADVPWVLMHWRAVSADTPHVPVRYGNVVAEVRADLLASVADAVAAGVDPARLVLDPGL  180
			  	181  GFAKTAQHNWAILHALPELVATGIPVLVGASRKRFLGALLAGPDGVMRPTDGRDTATAVI  240
			  	241  SALAALHGAWGVRVHDVRASVDAIKVVEAWMGAERIERDG

Known structures in the PDB

	PDB ID	1EYE
	Total residue count	280
	Number of chains	1
	Method	X-RAY
	Resolution	1.7

Number of amino acids : 280

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
Pterin_bind	PF00809	11-217

Mtb Structural Proteome models

Model Number	1
Model name	Rv3608c_1eye_A
Template	1EYE APDB CREDO
Template coverage	5_274
Template Identity(%)	100.0
Model coverage(%)	96.1
Normalized DOPE score	-1.394

Model Number	2
Model name	Rv3608c
Template	1EYE APDB CREDO
Template coverage	5_274
Template Identity(%)	100.0
Model coverage(%)	96.1
Normalized DOPE score	-1.043

Structure Models from Chopin

Model Number	1
Profile	c.1.21.1 - 3.20.20.20 Click for model details
zscore	60.05
Residue begin	1
Residue end	280

Binding pockets

STRING

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

Protein interacting with Rv3608c	Gene name	Confidence Score
Rv3607c	folB	0.999
Rv3606c	folK	0.999
Rv2447c	folC	0.996
Rv2447c	folC	0.996
Rv3609c	folE	0.995
Rv2763c	dfrA	0.987
Rv3610c	ftsH	0.98
Rv3610c	ftsH	0.98
Rv3610c	ftsH	0.98
Rv3441c	mrsA	0.938
Rv3441c	mrsA	0.938
Rv3441c	mrsA	0.938
Rv3441c	mrsA	0.938
Rv0006	gyrA	0.931
Rv0006	gyrA	0.931
Rv0013	trpG	0.921
Rv0812	Rv0812	0.917
Rv0667	rpoB	0.905
Rv0667	rpoB	0.905
Rv0667	rpoB	0.905
Rv0667	rpoB	0.905
Rv0667	rpoB	0.905
Rv0667	rpoB	0.905

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv3608c_1eye_A	2	2x7h_PFN_A_1372 PDB CREDO	0.539	0.259	0.539	0.006

Similarity to known drug target from sensitive sequence analysis

DrugBank ID	Drug Name
DB00250DrugBank	Dapsone
DB00259DrugBank	Sulfanilamide
DB00263DrugBank	Sulfisoxazole
DB00576DrugBank	Sulfamethizole
DB00634DrugBank	Sulfacetamide
DB01015DrugBank	Sulfamethoxazole
DB01298DrugBank	Sulfacytine
DB01581DrugBank	Sulfamerazine
DB01582DrugBank	Sulfamethazine
DB06729DrugBank	Sulfaphenazole

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
6-hydroxymethyl-7,8-dihydropterinPubChem	0.991	195.179
DB03592PubChem	0.988	273.143
p-aminobenzoic acidPubChem	0.987	137.136
dihydropteroatePubChem	0.974	314.299
pyrophosphatePubChem	0.964	177.975
7,8-dihydropterin pyrophosphatePubChem	0.963	355.138
dihydrofolatePubChem	0.95	443.413
phosphatePubChem	0.946	96.9872
adenosine monophosphatePubChem	0.909	347.221
4-amino-4-deoxychorismatePubChem	0.9	225.198
deuteriumPubChem	0.9	2.01588
adenosine diphosphatePubChem	0.9	427.201
H(+)PubChem	0.9	2.01588
glutamatePubChem	0.9	147.129
(3R)-4-ammonio-3-(1-carboxylatovinyloxy)cyclohexa-1,5-diene-1-carboxylatePubChem	0.9	224.19
magnesiumPubChem	0.9	24.305
adenosine triphosphatePubChem	0.9	507.181
pyruvic acidPubChem	0.9	88.0621
protiumPubChem	0.9	2.01576
sulfonamidePubChem	0.868	172.205
folatePubChem	0.836	441.397
dapsonePubChem	0.714	248.301