Structure of PDB 3u4f Chain D Binding Site BS02

Receptor Information
>3u4f Chain D (length=371) Species: 89187 (Roseovarius nubinhibens ISM) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LYFQSMKLTAIETFTNEFVGFVRVTSEDGARGWGQVSTYHSDITCEVLHR
QVAPWMLGQDCSDLDDLLDLVTEREHKFPGSYLRRAMAGVDTAIWDLRGK
QAGKPVAELLGGSAGTIRAYASSMKRDITPHDEAERMKRLRDAHGFDAFK
VRAGAEVGRGRDEWPGRTEEIVPTMRREMGDSAALLIDANSCYAPAQAIE
LGKLLQDHGFSHFEEPCPYWELEQTKEVSEALDIDVTGGEQDCDLTTWRR
MIDMRAVDVVQPDILYLGGICRTLRVARMAEAAALPVTPHCANLSLVTLF
TMHLLRAIPNAGKYLEFSIEGEDYYPWQDGLFVEDPYRIEDGHARVTEAP
GWGVEICPEWLARSAYKVSRA
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 chain3u4f Chain D Residue 374 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3u4f Crystal structure of a mandelate racemase (muconate lactonizing enzyme family protein) from Roseovarius nubinhibens
Resolution1.9 Å
Binding residue
(original residue number in PDB)		S224 L227
Binding residue
(residue number reindexed from 1)		S229 L232
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:3u4f, PDBe:3u4f, PDBj:3u4f
PDBsum3u4f
PubMed
UniProtA3SMJ4

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