Structure of PDB 3e4d Chain F Binding Site BS01

Receptor Information

>3e4d Chain F (length=277) Species: 176299 (Agrobacterium fabrum str. C58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MNIISQNTAFGGMQGVFSHQSETLKSEMTFAVYVPPKAIHEPCPVVWYLS
GLTCTHANVMEKGEYRRMASELGLVVVCPDTSPRGNDVPDELTNWQMGKG
AGFYLDATEEPWSEHYQMYSYVTEELPALIGQHFRADMSRQSIFGHSMGG
HGAMTIALKNPERFKSCSAFAPIVAPSSADWSEPALEKYLGADRAAWRRY
DACSLVEDGARFPEFLIDQGKADSFLEKGLRPWLFEEAIKGTDIGLTLRM
HDRYDHSYYFISTFMDDHLKWHAERLG

Ligand information

Ligand ID

InChI

InChI=1S/Mg/q+2

InChIKey

JLVVSXFLKOJNIY-UHFFFAOYSA-N

SMILES

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

Formula

Name

MAGNESIUM ION

PDB chain

3e4d Chain F Residue 278 [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	3e4d The structure of a putative S-formylglutathione hydrolase from Agrobacterium tumefaciens
Resolution	2.01 Å
Binding residue (original residue number in PDB)	D90 E91 N94 M97
Binding residue (residue number reindexed from 1)	D90 E91 N94 M97
Annotation score	1

Enzymatic activity

Enzyme Commision number

3.1.2.12: S-formylglutathione hydrolase.

Gene Ontology

	Molecular Function
GO:0016788	hydrolase activity, acting on ester bonds
GO:0018738	S-formylglutathione hydrolase activity
GO:0046872	metal ion binding
GO:0052689	carboxylic ester hydrolase activity

	Biological Process
GO:0046292	formaldehyde metabolic process
GO:0046294	formaldehyde catabolic process

	Cellular Component
GO:0005829	cytosol

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Cellular Component

External links

PDB	RCSB:3e4d, PDBe:3e4d, PDBj:3e4d
PDBsum	3e4d
PubMed	19653299
UniProt	A9CJ11

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