Structure of PDB 2gge Chain D Binding Site BS01

Receptor Information
>2gge Chain D (length=376) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALVKIVRIETFPLFHRLEKPYGDANGFKRYRTCYLIRIITESGIDGWGEC
VDWLPALHVGFTKRIIPFLLGKQAGSRLSLVRTIQKWHQRAASAVSMALT
EIAAKAADCSVCELWGGRYREEIPVYASFQSYSDSPQWISRSVSNVEAQL
KKGFEQIKVKIGGTSFKEDVRHINALQHTAGSSITMILDANQSYDAAAAF
KWERYFSEWTNIGWLEEPLPFDQPQDYAMLRSRLSVPVAGGENMKGPAQY
VPLLSQRCLDIIQPDVMHVNGIDEFRDCLQLARYFGVRASAHAYDGSLSR
LYALFAQACLPPWSKMKNDHIEPIEWDVMENPFTDLVSLQPSKGMVHIPK
GKGIGTEINMEIVNRYKWDGSAYEGH
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 chain2gge Chain D Residue 400 [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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PDB2gge Crystal Structure of Mandelate Racemase/Muconate Lactonizing Enzyme from Bacillus Subtilis complexed with MG++ at 1.8 A
Resolution1.89 Å
Binding residue
(original residue number in PDB)		E217 E243 H293
Binding residue
(residue number reindexed from 1)		E216 E242 H292
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Y22 S129 K159 K161 D190 N192 E217 G242 E243 D266 H293 N319 D320 E326
Catalytic site (residue number reindexed from 1) Y21 S128 K158 K160 D189 N191 E216 G241 E242 D265 H292 N318 D319 E325
Enzyme Commision number 5.-.-.-
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0016836 hydro-lyase activity
GO:0016853 isomerase 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:2gge, PDBe:2gge, PDBj:2gge
PDBsum2gge
PubMed
UniProtO06741|YITF_BACSU Putative isomerase YitF (Gene Name=yitF)

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