Structure of PDB 5mi1 Chain A Binding Site BS01

Receptor Information

>5mi1 Chain A (length=499) Species: 627145 (Steccherinum murashkinskyi)

AQIGPVTDLHITNANISPDGFSRPAVLAGGTFPGPTIAGNTGDNFQITVF
NDLTDPSMLTDTSIHWHGLFQKGTNWADGPAFVTQCPIITGQSFDYNFNV
PGQAGTFWYHSHLSTQYCDGLRGPFVVYDPNDPNASLYDVDDDTTIITLA
DWYHTLAQQEPIGAAITADATLINGLGRSFTNTTASPLSVITVQSGKRYR
MRLVSISCDPNYLFSIDGHDMTIIEVDGVNSQQLTVDQIQIFAAQRYSFV
LNANQPVGNYWIRAQPNSGGQGFDGGINSAILRYEGATVEDPTTTAPTTF
SNPLVETDLHPLADLGVPGQPFRGGADDPLVLNLAFANGRFSIDGVSFVP
PTVPVLLQILSGAQNAQDLLPAGSVISLPSNSVIEVALPAGAAGGPHPFH
LHGHNFAVVQSANNATPNYVNPIWRDTVSIGGTGDNVTIRFTTNNPGPWF
LHCHIDWHLEAGFAIVFAEDIPDTASANPVPQAWSDLCPAYDQAHNIST

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: 5mi1 Chain A Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5mi1 Structural study of the X-ray-induced enzymatic reduction of molecular oxygen to water by Steccherinum murashkinskyi laccase: insights into the reaction mechanism.
• Resolution: 1.35 Å
• Binding residue (original residue number in PDB): H112 H402 H452
• Binding residue (residue number reindexed from 1): H112 H402 H452
• 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

External links

• PDB: RCSB:5mi1, PDBe:5mi1, PDBj:5mi1
• PDBsum: 5mi1
• PubMed: 28471364
• UniProt: I1VE66