Structure of PDB 2dw6 Chain B Binding Site BS01

Receptor Information
>2dw6 Chain B (length=388) Species: 375 (Bradyrhizobium japonicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVRIVDVREITKPISSPIRNAYIDFTKMTTSLVAVVTDVVREGKRVVGYG
FNSNGRYGQGGLIRERFASRILEADPKKLLNEAGDNLDPDKVWAAMMINE
KPGGHGERSVAVGTIDMAVWDAVAKIAGKPLFRLLAERHGVKANPRVFVY
AAGGYYYPGKGLSMLRGEMRGYLDRGYNVVKMAIGGAPIEEDRMRIEAVL
EEIGKDAQLAVDANGRFNLETGIAYAKMLRDYPLFWYEEVGDPLDYALQA
ALAEFYPGPMATGENLFSHQDARNLLRYGGMRPDRDWLQFDCALSYGLCE
YQRTLEVLKTHGWSPSRCIPHGGHQMSLNIAAGLGLGGNESYPDLFQPYG
GFPDGVRVENGHITMPDLPGIGFEGKSDLYKEMKALAE
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 chain2dw6 Chain B Residue 2002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2dw6 Evolution of Enzymatic Activities in the Enolase Superfamily: d-Tartrate Dehydratase from Bradyrhizobium japonicum
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D213 E239 E265
Binding residue
(residue number reindexed from 1)		D212 E238 E264
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N55 K182 A184 D213 N215 E239 E265 D292 H322 E341 D345
Catalytic site (residue number reindexed from 1) N54 K181 A183 D212 N214 E238 E264 D291 H321 E340 D344
Enzyme Commision number 4.2.1.81: D(-)-tartrate dehydratase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
GO:0047808 D(-)-tartrate dehydratase activity
Biological Process
GO:0051260 protein homooligomerization

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Molecular Function
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Biological Process
External links
PDB RCSB:2dw6, PDBe:2dw6, PDBj:2dw6
PDBsum2dw6
PubMed17144653
UniProtQ89FH0|TARD_BRADU D(-)-tartrate dehydratase (Gene Name=tarD)

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