Structure of PDB 1kya Chain D Binding Site BS01

Receptor Information

>1kya Chain D (length=499) Species: 5325 (Trametes versicolor)

GIGPVADLTITNAAVSPDGFSRQAVVVNGGTPGPLITGNMGDRFQLNVID
NLTNHTMLKSTSIHWHGFFQKGTNWADGPAFINQCPISSGHSFLYDFQVP
DQAGTFWYHSHLSTQYCDGLRGPFVVYDPNDPAADLYDVDNDDTVITLVD
WYHVAAKLGPAFPLGADATLINGKGRSPSTTTADLSVISVTPGKRYRFRL
VSLSCDPNYTFSIDGHNMTIIETDSINTAPLVVDSIQIFAAQRYSFVLEA
NQAVDNYWIRANPNFGNVGFTGGINSAILRYDGAAAVEPTTTQTTSTAPL
NEVNLHPLVATAVPGSPVAGGVDLAINMAFNFNGTNFFINGASFTPPTVP
VLLQIISGAQNAQDLLPSGSVYSLPSNADIEISFPATAAAPGAPHPFHLH
GHAFAVVRSAGSTVYNYDNPIFRDVVSTGTPAAGDNVTIRFRTDNPGPWF
LHCHIDFHLEAGFAVVFAEDIPDVASANPVPQAWSDLCPTYDARDPSDQ

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: 1kya Chain D Residue 500

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1kya Crystal structure of a four-copper laccase complexed with an arylamine: insights into substrate recognition and correlation with kinetics.
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): H395 C453 H458
• Binding residue (residue number reindexed from 1): H395 C453 H458
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H64 H66 H109 H111 H395 H398 H400 H452 C453 H454 I455 H458 F463
• Catalytic site (residue number reindexed from 1): H64 H66 H109 H111 H395 H398 H400 H452 C453 H454 I455 H458 F463
• 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
• GO:0052716 hydroquinone:oxygen oxidoreductase activity

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:1kya, PDBe:1kya, PDBj:1kya
• PDBsum: 1kya
• PubMed: 12044164
• UniProt: Q96UT7