Structure of PDB 8bhh Chain B Binding Site BS03

Receptor Information

>8bhh Chain B (length=504) Species: 5507 (Fusarium oxysporum)

DFAAKCAGFKTSLKLPNTKVWFTEHVPAGKNITFPDNHPTCTPKSTITDV
EICRVAMFVTTGPKSNLTLEAWLPSNWTGRFLSTGNGGMAGCIQYDDVAY
GAGFGFATVGANNGHNGTSAVSMYKNSGVVEDYVYRSVHTGTVLGKELTK
KFYGKKHTKSYYLGCSTGGRQGWKEAQSFPDDFDGIVAGAPAMRFNGLQS
RSGSFWGITGPPGAPTHLSPEEWAMVQKNVLVQCDEPLDGVADGILEDPN
LCQYRPEALVCTKNCLTGPQIETVRKVFGPLYGNNGTYIYPRIPPGADQG
FGFAIGEQPFPYSTEWFQYVIWNDTKWDPNTIGPNDYQKASEVNPFNVET
WEGDLSKFRKRGSKIIHWHGLEDGLISSDNSMEYYNHVSATMGLSNTELD
EFYRYFRVSGCGHCSGGIGANRIGNNRANLGGKEAKNNVLLALVKWVEEG
QAPETITGVRYVNGATTGKVEVERRHCRYPYRNVWDRKGNYKNPDSWKCE
LPLE

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 8bhh Chain B Residue 614

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8bhh Structure-function studies of a novel laccase-like multicopper oxidase from Thermothelomyces thermophila provide insights into its biological role.
• Resolution: 1.69 Å
• Binding residue (original residue number in PDB): D270 D274 V276 D278 I280
• Binding residue (residue number reindexed from 1): D235 D239 V241 D243 I245
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.1.1.-
  3.1.1.73: feruloyl esterase.

Gene Ontology

Molecular Function

• GO:0030600 feruloyl esterase activity
• GO:0046872 metal ion binding
• GO:0052689 carboxylic ester hydrolase activity

Biological Process

• GO:0045493 xylan catabolic process

External links

• PDB: RCSB:8bhh, PDBe:8bhh, PDBj:8bhh
• PDBsum: 8bhh
• PubMed: 36961270
• UniProt: A0A2H3G048