Structure of PDB 112m Chain A Binding Site BS02

Receptor Information
>112m 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
KTEAEMKASEDLKKHGVTVLTALGAILKKKGHHEAELKPLAQSHATKHKI
PIKYLEFISEAIIHVLHSRHPGNFGADAQGAMNKALELFRKDIAAKYKEL
GYQG
Ligand information
Ligand IDNPN
InChIInChI=1S/C4H7N/c1-3-4-5-2/h3-4H2,1H3
InChIKeyFFDKYFGBIQQMSR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
isocyanide
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCC[N+]#[C-]
FormulaC4 H7 N
NameN-PROPYL ISOCYANIDE
ChEMBL
DrugBankDB04050
ZINC
PDB chain112m Chain A Residue 156 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB112m Correlations between Bound N-Alkyl Isocyanide Orientations and Pathways for Ligand Binding in Recombinant Myoglobins
Resolution2.34 Å
Binding residue
(original residue number in PDB)		L29 F43 H64 V68
Binding residue
(residue number reindexed from 1)		L30 F44 H65 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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Biological Process
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Cellular Component
External links
PDB RCSB:112m, PDBe:112m, PDBj:112m
PDBsum112m
PubMed
UniProtP02185|MYG_PHYMC Myoglobin (Gene Name=MB)

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