Structure of PDB 3s47 Chain A Binding Site BS01

Receptor Information
>3s47 Chain A (length=386) Species: 290402 (Clostridium beijerinckii NCIMB 8052) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLEPTIITDVLCYITKPDRHNLVVVKVETNKGIYGLGCATFQQRPKAVSL
VVSEYLKPILIGRDANNIEDLWQMMMVNSYWRNGPILNNAISGVDMALWD
IKGKLANMPLYQLFGGKSRDAIAAYTHAVADNLEDLYTEIDEIRKKGYQH
IRCQLGFHTTDNPTQGSYFDQDEYMRTTVSMFSSLREKYGYKFHILHDVH
ERLFPNQAVQFAKDVEKYKPYFIEDILPPDQNEWLGQIRSQTSTPLATGE
LFNNPMEWKSLIANRQVDFIRCHVSQIGGITPALKLGSLCAAFGVRIAWH
TPSDITPIGVAVNIHLNINLHNAAIQENIEINDNTRCVFSGIPEAKNGFF
YPIESPGIGVDIDENEIIKYPVETQSRIPDGTIVTP
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 chain3s47 Chain A Residue 402 [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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PDB3s47 Crystal structure of enolase superfamily member from Clostridium beijerincki complexed with Mg
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D207 E233 E259
Binding residue
(residue number reindexed from 1)		D198 E224 E250
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) R153 Q155 D207 H209 E233 G258 E259 R280 H282 H309 E336 P401
Catalytic site (residue number reindexed from 1) R152 Q154 D198 H200 E224 G249 E250 R271 H273 H300 E327 P386
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0046872 metal ion binding
Biological Process
GO:0009063 amino acid catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3s47, PDBe:3s47, PDBj:3s47
PDBsum3s47
PubMed
UniProtA6M2W4|IMAND_CLOB8 D-galactonate dehydratase family member Cbei_4837 (Gene Name=Cbei_4837)

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