Structure of PDB 1m65 Chain A Binding Site BS01

Receptor Information

>1m65 Chain A (length=234) Species: 562 (Escherichia coli)

YPVDLHMHTVASTHAYSTLSDYIAQAKQKGIKLFAITDHGPDMEDAPHHW
HFINMRIWPRVVDGVGILRGIEANIKNVDGEIDCSGKMFDSLDLIIAGFH
EPVFAPHDKATNTQAMIATIASGNVHIISHPGNPKYEIDVKAVAEAAAKH
QVALEINNSSNCREVAAAVRDAGGWVALGSDSHTAFTMGEFEECLKILDA
VDFPPERILNVSPRRLLNFLESRGMAPIAEFADL

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 1m65 Chain A Residue 300

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1m65 Crystal structure of the Escherichia coli YcdX protein reveals a trinuclear zinc active site
• Resolution: 1.57 Å
• Binding residue (original residue number in PDB): H15 H40 H194
• Binding residue (residue number reindexed from 1): H14 H39 H183
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.1.3.-

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0005515 protein binding
• GO:0008270 zinc ion binding
• GO:0016787 hydrolase activity
• GO:0016791 phosphatase activity
• GO:0042578 phosphoric ester hydrolase activity
• GO:0042802 identical protein binding
• GO:0046872 metal ion binding

Biological Process

• GO:0071978 bacterial-type flagellum-dependent swarming motility

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:1m65, PDBe:1m65, PDBj:1m65
• PDBsum: 1m65
• PubMed: 12661000
• UniProt: P75914|YCDX_ECOLI Probable phosphatase YcdX (Gene Name=ycdX)