Structure of PDB 3mqt Chain W Binding Site BS01

Receptor Information
>3mqt Chain W (length=378) Species: 398579 (Shewanella pealeana ATCC 700345) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANIVSVEFIPVNVASENTVIVKVTDENGVYGLGEADGPPECMKAFSEIEN
EHKWLNNIKEAVIGRDPLEFRANYNRMYDTTKWIGMRGLGLFAISGIDMA
LYDLAGKQLGVPAYKLMGGAQKAQLTPYFTLYPSVAADATLSEIVEAYKP
LIAKAKERGAKAVKVCIIPNDKVSDKEIVAYLRELREVIGWDMDMMVDCL
YRWTDWQKARWTFRQLEDIDLYFIEACLQHDDLIGHQKLAAAINTRLCGA
EMSTTRFEAQEWLEKTGISVVQSDYNRCGGVTELLRIMDICEHHNAQLMP
HNWKTGITAAAARHFGIVCHISEYVEYLHPDFWNGTLTQQLTLNEPKIID
GAIEVSDKPGLGIELNIEFVEQVTGHKF
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3mqt Chain W Residue 395 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3mqt Crystal STRUCTURE OF A MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FROM SHEWANELLA PEALEANA
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D206 E233 E259
Binding residue
(residue number reindexed from 1)		D198 E225 E251
Annotation score4
Enzymatic activity
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0016836 hydro-lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0016052 carbohydrate catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3mqt, PDBe:3mqt, PDBj:3mqt
PDBsum3mqt
PubMed
UniProtA8H7M5

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