Structure of PDB 3pk7 Chain D Binding Site BS01

Receptor Information
>3pk7 Chain D (length=387) Species: 158080 () [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLKIRDAYTIVTCPGRNFVTLKIVTESGTHGIGDATLNGREMAVAAYLDE
HVVPALIGRDAGRIEDTWQYLYRGAYWRRGPVTMTAIAAVDMALWDIKAK
AAGMPLYQLLGGKSRERVMTYAHCTGQTIEDCLGEVARHVELGYRAVRVQ
SGVPGIESSLPAEHVWSTEKYLNHAPKLFAAVRERFGDDLHVLHDVHHRL
TPIEAARLGKAVEPYHLFWLEDCVPAENQESLRLIREHTTTPLAIGEVFN
SIHDCRELIQNQWIDYIRMPLTHGGGITAMRRVADLASLYHVRTGFHGPT
DLSPVCLGAAIHFDTWVPNFGIQEHMPHTDETDAVFPHDYRFEDGHFLAG
ESPGHGVDIDEELAAKYPYERASLPVNRLEDGTLWHW
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 chain3pk7 Chain D Residue 406 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3pk7 Crystal structure of D-mannonate dehydratase from Chromohalobacter salexigens with MG and Glycerol bound in the active site
Resolution1.642 Å
Binding residue
(original residue number in PDB)		D213 E239 E265
Binding residue
(residue number reindexed from 1)		D195 E221 E247
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H124 R149 Q151 D213 H215 E239 G264 E265 R286 P288 H315 G316 E342 W405
Catalytic site (residue number reindexed from 1) H123 R148 Q150 D195 H197 E221 G246 E247 R268 P270 H297 G298 E324 W387
Enzyme Commision number 4.2.1.-
4.2.1.39: gluconate dehydratase.
4.2.1.8: mannonate dehydratase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0008927 mannonate dehydratase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
GO:0047929 gluconate dehydratase activity
Biological Process
GO:0009063 amino acid catabolic process
GO:0016052 carbohydrate catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3pk7, PDBe:3pk7, PDBj:3pk7
PDBsum3pk7
PubMed
UniProtQ1QT89|DMGD_CHRSD D-galactonate dehydratase family member ManD (Gene Name=manD)

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