Structure of PDB 3uj2 Chain E Binding Site BS01

Receptor Information

>3uj2 Chain E (length=423) Species: 411490 (Anaerostipes caccae L1-92)

NYLEIEKVIGREIIDSRGNPTVEAEVYLAGGVTGRGTAPSGGEFEALELR
DGDKGRFGGKGVTKAVQNINTEISEILSGMDASDIYAVDRAMIDADGTKD
KSKFGANAVLAVSIACAKAAAAALGVPLYRFLGGLNANRLPVPMMNILNG
GAHAANTVDVQEFMIMPVGAESFREALRQCTEVFHALAGLLKSKGLATSV
GDEGGFAPDLASDEEAIEYILEAVKLAGYEPGRDFVLAMDAASSEWKGEK
KGEYILPKCKRKFASEELVAHWKSLCERYPIVSIEDGLDEEDWEGWQYMT
RELGDKIQLVGDDLFVTNTERLNKGIKERCGNSILIKLNQIGTVSETLEA
IKMAHKAGYTAVVSHRSGETEDTTIADLAVALNTGQIKTGAPSRSERVAK
YNQLLRIEEELGDSAVYPGFTTF

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 3uj2 Chain E Residue 430

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3uj2 CRYSTAL STRUCTURE OF AN ENOLASE FROM ANAEROSTIPES CACCAE (EFI TARGET EFI-502054) WITH BOUND MG AND SULFATE
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): D244 E289 D316
• Binding residue (residue number reindexed from 1): D240 E285 D312
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H157 E166 E207 D244 E289 D316 K341 H369 K392
• Catalytic site (residue number reindexed from 1): H153 E162 E203 D240 E285 D312 K337 H365 K388
• Enzyme Commision number: 4.2.1.11: phosphopyruvate hydratase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0004634 phosphopyruvate hydratase activity
• GO:0016829 lyase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006096 glycolytic process

Cellular Component

• GO:0000015 phosphopyruvate hydratase complex
• GO:0005576 extracellular region
• GO:0005737 cytoplasm
• GO:0009986 cell surface

External links

• PDB: RCSB:3uj2, PDBe:3uj2, PDBj:3uj2
• PDBsum: 3uj2
• UniProt: B0MAG5