Structure of PDB 3e2d Chain B Binding Site BS02

Receptor Information

>3e2d Chain B (length=502) Species: 169049 (Vibrio sp. G15-21)

AEIKNVILMIGDGMGPQQVGLLETYANQAPNSIYKGNKTAIYQLAQEGVI
GSSLTHPEDAIVVDSACSATMLATGIYSSSEVIGIDSQGNHVETVLEKAK
KAGKATGLVSDTRLTHATPASFAAHQPHRSLENQIASDMLATGADVMLSG
GLRHWIPKSTNDKGETYKQLEKLTQGDVYLKSKRKDDRNLLTEAEKDGYQ
LAFNRNMLDDAKGDKLLGLFAYSGMDDGIAYSNKKKSGERTQPSLKEMTQ
KALNILSKDEDGFFLMVEGGQIDWAGHSNDAGTMLHELLKFDEAIQTVYE
WAKDREDTIVIVTADHETGSFGFSYSSNDLPKPQKRSGEAFADRDYAPNF
NFGAFDILDGLYNQKQSYYGMISEFQKLDKSLQTPEKLAEIVNKNSEFPI
TAEQAKNVLASKPNPYRLAQHKYLSAEEVPAINDFDAFFPYNDRGNLLAR
EQATGQNIVWGTGTHTHTPVNVFAWGPAEKILPVSKIMHHSELGEYIKQQ
VN

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: 3e2d Chain B Residue 602

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3e2d The 1.4 A crystal structure of the large and cold-active Vibrio sp. alkaline phosphatase.
• Resolution: 1.4 Å
• Binding residue (original residue number in PDB): D12 S65 D315 H316
• Binding residue (residue number reindexed from 1): D12 S65 D315 H316
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D12 S65 H116 T118 R129 E268 D273 W274 H277 D315 H316 H465
• Catalytic site (residue number reindexed from 1): D12 S65 H116 T118 R129 E268 D273 W274 H277 D315 H316 H465
• 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:3e2d, PDBe:3e2d, PDBj:3e2d
• PDBsum: 3e2d
• PubMed: 18977465
• UniProt: Q93P54