Structure of PDB 8f9i Chain A Binding Site BS02

Receptor Information
>8f9i Chain A (length=154) Species: 9755 (Physeter catodon) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVLSEGEWQLVLHVWAKVEADVAGHGQDILIRLFKSHPETLEKFDRFKHL
KTEAEMKASEDLKKAGVTVLTALGAILKKKGHHEAELKPLAQSHATKHKI
PIKYLEFISEAIIHVLHSRHPGNFGADAQGAMNKALELFRKDIAAKYKEL
GYQG
Ligand information
Ligand IDNOE
InChIInChI=1S/C2H5NO/c1-2-3-4/h2H2,1H3
InChIKeyIFYCAQIXDKZDTB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=NCC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCN=O
FormulaC2 H5 N O
NameNITROSOETHANE
ChEMBL
DrugBankDB02646
ZINC
PDB chain8f9i Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8f9i Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		F43 V68
Binding residue
(residue number reindexed from 1)		F44 V69
Annotation score1
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8f9i, PDBe:8f9i, PDBj:8f9i
PDBsum8f9i
PubMed37011611
UniProtP02185|MYG_PHYMC Myoglobin (Gene Name=MB)

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