Structure of PDB 3t6v Chain B Binding Site BS01

Receptor Information

>3t6v Chain B (length=495) Species: 92696 (Steccherinum ochraceum)

VQIGPVTDLHIVNADIVPDGFVRPAVNAGGTFPGPVIAGNVGDNFQIVTF
NQLIECSMLVDTSIHWHGEFQKGTNWADGPAFITQCPIIVGNSFSYNFNV
PGMAGTYWYHSHLTTQYCDGLRGPFVVYDPNDPDANLYDVDDDTTIITLA
DWYHVLAKEMGAGGAITADSTLIDGLGRTHVNVAAVPLSVITVEVGKRYR
MRLVSISCDPNYDFSIDGHDMTIIETDGVDSQELTVDEIQIFAAQRYSFV
LNANQPVGNYWIRANPNSGGEGFDGGINSAILRYDGATTADPVTVASTVH
TKCLIETDLHPLSRNGVPGNPHQGGADCNLNLSLGFACGNFVINGVSFTP
PTVPVLLQICSGANTAADLLPSGSVISLPSNSTIEIALPAGAAGGPHPFH
LHGHDFAVSESASNSTSNYDDPIWRDVVSIGGVGDNVTIRFCTDNPGPWF
LHCHIDWHLDAGFAIVFAEDIPNTASANPVPEAWSNLCPSYDSAH

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: 3t6v Chain B Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3t6v Reaction intermediates and redox state changes in a blue laccase from Steccherinum ochraceum observed by crystallographic high/low X-ray dose experiments.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): H397 C453 H458
• Binding residue (residue number reindexed from 1): H397 C453 H458
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H65 H67 H110 H112 H397 H400 H402 H452 C453 H454 I455 H458 F463
• Catalytic site (residue number reindexed from 1): H65 H67 H110 H112 H397 H400 H402 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:3t6v, PDBe:3t6v, PDBj:3t6v
• PDBsum: 3t6v
• PubMed: 22341982
• UniProt: I1SB14