SInCRe - Rv1445c

Tuberculist information

Gene name	devB
Protein function	Probable 6-phosphogluconolactonase DevB (6PGL)
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	1623.71
Molecular mass(da)	25772.2
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 247

	  		  	1    VSSSIEIFPDSDILVAAAGKRLVGAIGAAVAARGQALIVLTGGGNGIALLRYLSAQAQQI   60
			  	61   EWSKVHLFWGDERYVPEDDDERNLKQARRALLNHVDIPSNQVHPMAASDGDFGGDLDAAA  120
			  	121  LAYEQVLAASAAPGDPAPNFDVHLLGMGPEGHINSLFPHSPAVLESTRMVVAVDDSPKPP  180
			  	181  PRRITLTLPAIQRSREVWLLVSGPGKADAVAAAIGGADPVSVPAAGAVGRQNTLWLLDRD  240
			  	241  AAAKLPS

Known structures in the PDB

	PDB ID	3ICO
	Total residue count	1072
	Number of chains	4
	Method	X-RAY
	Resolution	2.15

Number of amino acids : 247

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
Glucosamine_iso	PF01182	14-215

Mtb Structural Proteome models

Model Number	1
Model name	Rv1445c_3ico_A
Template	3ICO APDB CREDO
Template coverage	3_246
Template Identity(%)	100.0
Model coverage(%)	98.4
Normalized DOPE score	-1.703

Model Number	2
Model name	Rv1445c
Template	1Y89 APDB CREDO
Template coverage	5_237
Template Identity(%)	32.2
Model coverage(%)	96.8
Normalized DOPE score	-0.24

Structure Models from Chopin

Model Number	1
Profile	c.124.1.1 - 3.40.50.1360 Click for model details
zscore	34.66
Residue begin	3
Residue end	247

Binding pockets

STRING

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

Protein interacting with Rv1445c	Gene name	Confidence Score
Rv1447c	zwf2	0.999
Rv1447c	zwf2	0.999
Rv1121	zwf1	0.998
Rv1121	zwf1	0.998
Rv1844c	gnd1	0.996
Rv1844c	gnd1	0.996
Rv1446c	opcA	0.994
Rv1122	gnd2	0.989
Rv1122	gnd2	0.989
Rv1449c	tkt	0.976
Rv1449c	tkt	0.976
Rv1449c	tkt	0.976
Rv1448c	tal	0.963

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
6-phosphogluconatePubChem	0.984	276.135
hydron sulfatePubChem	0.962	196.157
sulfatePubChem	0.962	96.0626
6-phosphoglucono-delta-lactonePubChem	0.96	258.12
glucose-6-phosphatePubChem	0.944	260.136
NADPPubChem	0.932	744.413
H(+)PubChem	0.9	2.01588
2-keto-3-deoxy-6-phosphogluconatePubChem	0.9	258.12
ribulose 5-phosphatePubChem	0.9	230.11
NADP(H)PubChem	0.9	745.421
glucose-6-PPubChem	0.9	260.136
protiumPubChem	0.9	2.01576
deuteriumPubChem	0.9	2.01588
ribulose-5-phosphatePubChem	0.9	230.11
carbon dioxidePubChem	0.9	44.0095
hydroxyl radicalsPubChem	0.9	17.0073
3-deoxy-D-erythro-hex-2-ulosonic acid 6-phosphatePubChem	0.9	258.12
selenomethioninePubChem	0.794	196.106
SeMetPubChem	0.794	196.106
citratePubChem	0.762	192.124
polyethylene glycolPubChem	0.756	62.0678
ethylene glycol; hydronPubChem	0.749	63.0758
glycerolPubChem	0.716	92.0938
phosphatePubChem	0.7	96.9872