Structure of PDB 8qba Chain A Binding Site BS02

Receptor Information
>8qba Chain A (length=155) Species: 9755 (Physeter catodon) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVLSEGEWQLVLHVWAKVEADVAGHGQDILIRLFKSHPETLEKFDRFKHL
KTEAEMKASEDLKKVGVTALTALGAILKKKGHHEAELKPLAQSHATKHKI
PIKYLEFISEAIIHVLHSRHPGDFGADAQGAMNKALELFRKDIAAKYKEL
GYQGG
Ligand information
Ligand IDGEE
InChIInChI=1S/C4H9NO2/c1-2-7-4(6)3-5/h2-3,5H2,1H3
InChIKeyNTNZTEQNFHNYBC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(OCC)CN
CACTVS 3.370
OpenEye OEToolkits 1.7.0		CCOC(=O)CN
FormulaC4 H9 N O2
Nameethyl glycinate
ChEMBLCHEMBL2448938
DrugBank
ZINCZINC000034800260
PDB chain8qba Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8qba Myoglobin-catalyzed azide reduction proceeds via an anionic metal amide intermediate
Resolution1.39 Å
Binding residue
(original residue number in PDB)		I28 L29 A68 I107
Binding residue
(residue number reindexed from 1)		I29 L30 A69 I108
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:8qba, PDBe:8qba, PDBj:8qba
PDBsum8qba
PubMed38264790
UniProtP02185|MYG_PHYMC Myoglobin (Gene Name=MB)

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