Structure of PDB 8j4k Chain A Binding Site BS02

Receptor Information

>8j4k Chain A (length=153) Species: 9755 (Physeter catodon)

VLSEGEWQLVLHVWAKVEADVAGHGQDILIRLFKSHPETLEKFDRCKHLK
TEAEMKASEDLKKHGVTVLTALGAILKKKGHHEAELKPLAQSHATKHKIP
IKYLEFISEAIIHVLHSRHPGDFGADAQGAMNKALELFRKDIAAKYKELG
YQG

Ligand information

• Ligand ID: 9UU
• InChI: InChI=1S/C10H7NO3/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-6,12H
• InChIKey: BLLFPKZTBLMEFG-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.385: Oc1ccc(cc1)N2C(=O)C=CC2=O
  OpenEye OEToolkits 2.0.7: c1cc(ccc1N2C(=O)C=CC2=O)O
• Formula: C10 H7 N O3
• Name: 1-(4-hydroxyphenyl)pyrrole-2,5-dione
• PDB chain: 8j4k Chain A Residue 202

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8j4k X-ray crystal structure of F46C myoglobin with a covalently linked phenol group
• Resolution: 1.46 Å
• Binding residue (original residue number in PDB): F33 K42 F43 C46 H64 V68
• Binding residue (residue number reindexed from 1): F33 K42 F43 C46 H64 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:8j4k, PDBe:8j4k, PDBj:8j4k
• PDBsum: 8j4k
• UniProt: P02185|MYG_PHYMC Myoglobin (Gene Name=MB)