Structure of PDB 2w5v Chain A Binding Site BS01

Receptor Information

>2w5v Chain A (length=346) Species: 82349 (Antarctic bacterium TAB5)

QLKTPKNVILLISDGAGLSQISSTFYFKSGTPNYTQFKNIGLIKTSSSRE
DVTDSASGATAFSCGIKTYNAAIGVADDSTAVKSIVEIAALNNIKTGVVA
TSSITDATPASFYAHALNRGLEEEIAMDMTESDLDFFAGGGLNYFTKRKD
KKDVLAILKGNQFTINTTALTDFSSIASNRKMGFLLADEAMPTMEKGRGN
FLSAATDLAIQFLSKDNSAFFIMSEGSQIDWGGHANNASYLISEINDFDD
AIGTALAFAKKDGNTLVIVTSDHETGGFTLAAKKNKREDGSEYSDYTEIG
PTFSTGGHSATLIPVFAYGPGSEEFIGIYENNEIFHKILKVTKWNQ

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: 2w5v Chain A Residue 1376

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2w5v Coordination Sphere of the Third Metal Site is Essential to the Activity and Metal Selectivity of Alkaline Phosphatases.
• Resolution: 1.78 Å
• Binding residue (original residue number in PDB): S84 D259 H263 H337
• Binding residue (residue number reindexed from 1): S55 D230 H234 H308
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D43 S84 D135 T137 R148 E254 D259 W260 H263 D301 H302 H337
• Catalytic site (residue number reindexed from 1): D14 S55 D106 T108 R119 E225 D230 W231 H234 D272 H273 H308
• Enzyme Commision number: 3.1.3.1: alkaline phosphatase.

Gene Ontology

Molecular Function

• GO:0004035 alkaline phosphatase activity
• GO:0016791 phosphatase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0016311 dephosphorylation

External links

• PDB: RCSB:2w5v, PDBe:2w5v, PDBj:2w5v
• PDBsum: 2w5v
• PubMed: 19916164
• UniProt: Q9KWY4