Structure of PDB 2eb5 Chain A Binding Site BS01

Receptor Information

>2eb5 Chain A (length=259) Species: 562 (Escherichia coli)

MFDKHTHTLIAQRLDQAEKQREQIRAISLDYPEITIEDAYAVQREWVRLK
IAEGRTLKGHKIGLTSKAMQASSQISEPDYGALLDDMFFHDGSDIPTDRF
IVPRIEVELAFVLAKPLRGPNCTLFDVYNATDYVIPALELIDARCHNIKV
FDTISDNAANAGVILGGRPIKPDELDLRWISALMYRNGVIEETGVAAGVL
NHPANGVAWLANKLAPYDVQLEAGQIILGGSFTRPVPARKGDTFHVDYGN
MGSISCRFV

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: 2eb5 Chain A Residue 1001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2eb5 Structure and Mechanism of HpcG, a Hydratase in the Homoprotocatechuate Degradation Pathway of Escherichia coli
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): E106 E108 E139
• Binding residue (residue number reindexed from 1): E106 E108 E139
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 4.1.1.77: 2-oxo-3-hexenedioate decarboxylase.
  4.2.1.80: 2-oxopent-4-enoate hydratase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0008684 2-oxopent-4-enoate hydratase activity
• GO:0016829 lyase activity
• GO:0018817 2-oxo-hept-3-ene-1,7-dioate hydratase activity
• GO:0034856 2-hydroxyhexa-2,4-dienoate hydratase activity
• GO:0046872 metal ion binding
• GO:0047437 4-oxalocrotonate decarboxylase activity

Biological Process

• GO:0009056 catabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:2eb5, PDBe:2eb5, PDBj:2eb5
• PDBsum: 2eb5
• PubMed: 17559873
• UniProt: Q46982