Structure of PDB 8f9j Chain A Binding Site BS02

Receptor Information

>8f9j Chain A (length=153) Species: 9755 (Physeter catodon)

VLSEGEWQLVLHVWAKVEADVAGHGQDILIRLFKSHPETLEKFDRFKHLK
TEAEMKASEDLKKAGVTVLTALGAILKKKGHHEAELKPLAQSHATKHKIP
IKYLEFISEAIIHVLHSRHPGNFGADAQGAMNKALELFRKDIAAKYKELG
YQG

Ligand information

• Ligand ID: XEM
• InChI: InChI=1S/C3H7NO/c1-2-3-4-5/h2-3H2,1H3
• InChIKey: DAGJBILJINSVOD-UHFFFAOYSA-N
• SMILES:
  ACDLabs 12.01
  CACTVS 3.385
  OpenEye OEToolkits 2.0.7: CCCN=O
• Formula: C3 H7 N O
• Name: 1-nitrosopropane
• PDB chain: 8f9j Chain A Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8f9j Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives.
• Resolution: 1.75 Å
• Binding residue (original residue number in PDB): F43 V68
• Binding residue (residue number reindexed from 1): F43 V68
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.11.1.-
  1.7.-.-

Gene Ontology

Molecular Function

• GO:0004601 peroxidase activity
• GO:0005344 oxygen carrier activity
• GO:0016491 oxidoreductase activity
• GO:0019825 oxygen binding
• GO:0020037 heme binding
• GO:0046872 metal ion binding
• GO:0098809 nitrite reductase activity

Biological Process

• GO:0015671 oxygen transport
• GO:0019430 removal of superoxide radicals

Cellular Component

• GO:0005737 cytoplasm
• GO:0016528 sarcoplasm
• GO:0070062 extracellular exosome

External links

• PDB: RCSB:8f9j, PDBe:8f9j, PDBj:8f9j
• PDBsum: 8f9j
• PubMed: 37011611
• UniProt: P02185|MYG_PHYMC Myoglobin (Gene Name=MB)