Structure of PDB 8j4l Chain A Binding Site BS02

Receptor Information
>8j4l Chain A (length=153) Species: 9755 (Physeter catodon) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VLSEGEWQLVLHVWAKVEADVAGHGQDILIRLFKSHPETLEKFDRCKHLK
TEAEMKASEDLKKHGVTVLTALGAILKKKGHHEAELKPLAQSHATKHKIP
IKYLEFISEAIIHVLHSRHPGDFGADAQGAMNKALELFRKDIAAKYKELG
YQG
Ligand information
Ligand IDEBJ
InChIInChI=1S/C2H3N3S/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)
InChIKeyLLCOQBODWBFTDD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01Sc1nnnc1
CACTVS 3.385Sc1[nH]nnc1
OpenEye OEToolkits 2.0.6c1c([nH]nn1)S
FormulaC2 H3 N3 S
Name1H-1,2,3-triazole-5-thiol
ChEMBL
DrugBank
ZINCZINC000012405203
PDB chain8j4l Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8j4l X-ray crystal structure of F46C myoglobin with a covalently linked triazole group
Resolution1.45 Å
Binding residue
(original residue number in PDB)		F43 R45 C46 L61
Binding residue
(residue number reindexed from 1)		F43 R45 C46 L61
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:8j4l, PDBe:8j4l, PDBj:8j4l
PDBsum8j4l
PubMed
UniProtP02185|MYG_PHYMC Myoglobin (Gene Name=MB)

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