Structure of PDB 3aw5 Chain A Binding Site BS01

Receptor Information

>3aw5 Chain A (length=438) Species: 178306 (Pyrobaculum aerophilum str. IM2)

APVPPLIKEATYIEATASGYMAEGVLNPTIILRRGQRVDMTLKNKLTEPT
IVHWHGFDVNWHNDAHPSFAITPGESYNYSFDVVNRAGTYLYHPHPHGLT
AKQFYMGQLGLVIVEDSGSDLGFKYGVNDLPLVISDRRFIGGAPVYNPTP
MEMIAGFLGNAVLVNGVKDAVFKLSGGSYRLRLVNGSNARLYMLSIVKKN
GDVVPMRLIAVDQGFLARPIEVRALFLAPAERAEVVVELGEGVYLLKNTP
FDPMHLEMGHGMQEALPEGSEYTIATFLVEGKGEAVPVEALSDPPPEPPK
PTRTRRFALSLSGMQWTINGMFWNASNPLFEHVSVEGVELWEIVNDKASM
PHPMHLHGFPMWIIERKDSPRQVAELAVDNRGRLPTDLGLKDTVLIWPGE
TVKIVVNFDAKKRGQLFPFHCHNLEHEDGGMMINIAVK

Ligand information

• Ligand ID: CU
• InChI: InChI=1S/Cu/q+2
• InChIKey: JPVYNHNXODAKFH-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Cu+2]
  CACTVS 3.341: [Cu++]
• Formula: Cu
• Name: COPPER (II) ION
• DrugBank: DB14552
• PDB chain: 3aw5 Chain A Residue 701

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3aw5 Structure of a multicopper oxidase from the hyperthermophilic archaeon Pyrobaculum aerophilum
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): H391 C460 H465
• Binding residue (residue number reindexed from 1): H352 C421 H426
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): V91 H92 H132 H134
• Catalytic site (residue number reindexed from 1): V52 H53 H93 H95
• Enzyme Commision number: 1.10.3.2: laccase.

Gene Ontology

Molecular Function

• GO:0005507 copper ion binding
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:3aw5, PDBe:3aw5, PDBj:3aw5
• PDBsum: 3aw5
• PubMed: 21795787
• UniProt: Q8ZWA8