Structure of PDB 5kd1 Chain A Binding Site BS02

Receptor Information

>5kd1 Chain A (length=153) Species: 9755 (Physeter catodon)

VLSEGEWQLVLHVWAKVEADVAGHGQDILIRLFKSHPETLEKFDRFKHLK
TEAEMKASEDLKKAGVTVLTALGAILKKKGHHEAELKPLAQSHATKHKIP
IKYLEFISEAIIHVLHSRHPGNFGADAQGAMNKALELFRKDIAAKYKELG
YQG

Ligand information

• Ligand ID: 3QM
• InChI: InChI=1S/C9H11NO/c1-8(10-11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/t8-/m1/s1
• InChIKey: JNWJQOCPCZKSQI-MRVPVSSYSA-N
• SMILES:
  CACTVS 3.385: C[CH](Cc1ccccc1)N=O
  ACDLabs 12.01: O=NC(Cc1ccccc1)C
  CACTVS 3.385
  OpenEye OEToolkits 1.9.2: C[C@H](Cc1ccccc1)N=O
  OpenEye OEToolkits 1.9.2: CC(Cc1ccccc1)N=O
• Formula: C9 H11 N O
• Name: [(2R)-2-nitrosopropyl]benzene;
  2-nitroso-1-phenylpropane
• PDB chain: 5kd1 Chain A Residue 206

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5kd1 Nitrosoamphetamine binding to myoglobin and hemoglobin: Crystal structure of the H64A myoglobin-nitrosoamphetamine adduct.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): F43 A64 V68
• Binding residue (residue number reindexed from 1): F43 A64 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:5kd1, PDBe:5kd1, PDBj:5kd1
• PDBsum: 5kd1
• PubMed: 28450187
• UniProt: P02185|MYG_PHYMC Myoglobin (Gene Name=MB)