Structure of PDB 3e7f Chain B Binding Site BS01

Receptor Information

>3e7f Chain B (length=263) Species: 5691 (Trypanosoma brucei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SFKPTISVHATPQELSAAGCRKIVEIIEASGSQQWPLSIALAGGSTPKMT
YARLHDEHLNLLREKRALRFFMGDERMVPADSTDSNYNMAREVLLHDIPD
DLVFPFDTSAVTPSAEATSADAMRVAEAYGKQLASLLPLKSVGEAGPKVP
VFDVVLLGLGSDGHTASIFPGSQAEKETDGKVVVSVGFPSETMKPKVWRV
TLSPATIMQARNVIVLATGAEKKWVVDGILADTAHKAPVARFLRGCEGNV
SFLLDKEIAENLA

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Zn++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Zn+2]

Formula

Name

ZINC ION

PDB chain

3e7f Chain B Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	3e7f Insights into the enzymatic mechanism of 6-phosphogluconolactonase from Trypanosoma brucei using structural data and molecular dynamics simulation.
Resolution	2.2 Å
Binding residue (original residue number in PDB)	H56 H97 D98
Binding residue (residue number reindexed from 1)	H55 H96 D97
Annotation score	1

Enzymatic activity

Enzyme Commision number

3.1.1.31: 6-phosphogluconolactonase.

Gene Ontology

	Molecular Function
GO:0016787	hydrolase activity
GO:0017057	6-phosphogluconolactonase activity
GO:0046872	metal ion binding

	Biological Process
GO:0005975	carbohydrate metabolic process
GO:0006098	pentose-phosphate shunt

	Cellular Component
GO:0005737	cytoplasm
GO:0020015	glycosome

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Cellular Component

External links

PDB	RCSB:3e7f, PDBe:3e7f, PDBj:3e7f
PDBsum	3e7f
PubMed	19345229
UniProt	Q9GRG6

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