Structure of PDB 5ehf Chain A Binding Site BS01

Receptor Information

>5ehf Chain A (length=497) Species: 92699 (Antrodiella faginea)

AIGPVADLKIVNANIQPDGFTRPAVLAGGTFPGPLIKGNKGDNFQLNVID
ELENEDMLKSTSIHWHGFFQHGTNWADGPAFVNQCPITTGHSFLYNFHVP
DQAGTFWYHSHLSTQYCDGLRGPMVVYDPHDPLKQLYDVDDESTVMTLAD
WYHTLARQEPPGPVTPDSTLINGLGRAPGQTTPSELAVLTVKRGTRYRIR
LINISCEPNYHYSIDNHDLTVIEADGVSTQSLTVSSLTIFAGQRYSFILN
ANQPVGNYWIRAQPNDAADVTFNGGINSAILRYEGAPVAEPNTTAGPDNT
PLLEVNIRPFVFTPVPGQPHAGGADFVKNLLFSFNGTNFQVDNVSFVPPT
VPILLQILSGAHTAQDLMPAGSIIPLPKNAVIEFSMPGGVVGGGHPIHLH
GHNFWVIRSANSSVYNYNDPVIRDVVNIGTTGDNVTIRFETNNPGPWFLH
CHIDWHLDLGFAVVMAEDIPDAAAANPVPAAWNELCPLYDALTPGNQ

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: 5ehf Chain A Residue 507

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5ehf Structure-function study of two new middle-redox potential laccases from basidiomycetes Antrodiella faginea and Steccherinum murashkinskyi.
• Resolution: 1.75 Å
• Binding residue (original residue number in PDB): H111 H400 H450
• Binding residue (residue number reindexed from 1): H111 H400 H450
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H64 H66 H109 H111 H395 H398 H400 H450 C451 H452 I453 H456 F461
• Catalytic site (residue number reindexed from 1): H64 H66 H109 H111 H395 H398 H400 H450 C451 H452 I453 H456 F461
• 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:5ehf, PDBe:5ehf, PDBj:5ehf
• PDBsum: 5ehf
• PubMed: 29890251
• UniProt: A0A0M3U1T9