Structure of PDB 1duo Chain A Binding Site BS02

Receptor Information
>1duo Chain A (length=152) Species: 9755 (Physeter catodon) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VLSEGEWQLVLHVWAKVEADVAGHGQDILIRLFKSHPETLEKFDRFKHLK
TEAEMKASEDLKKHGVTVLTALGAILKKKGHHEAELKPLAQSGATKHKIP
IKYLEFISEAIIHVLHSRHPGDFGADAQGAMNKALELFRKDIAAKYKELG
YQ
Ligand information
Ligand ID1MZ
InChIInChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3/p+1
InChIKeyMCTWTZJPVLRJOU-UHFFFAOYSA-O
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		Cn1cc[nH+]c1
ACDLabs 10.04c1c[nH+]cn1C
FormulaC4 H7 N2
Name1-METHYLIMIDAZOLE
ChEMBL
DrugBankDB02671
ZINC
PDB chain1duo Chain A Residue 155 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1duo Trans-substitution of the proximal hydrogen bond in myoglobin: I. Structural consequences of hydrogen bond deletion.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		L89 S92
Binding residue
(residue number reindexed from 1)		L89 S92
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:1duo, PDBe:1duo, PDBj:1duo
PDBsum1duo
PubMed10813811
UniProtP02185|MYG_PHYMC Myoglobin (Gene Name=MB)

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