Structure of PDB 3u3e Chain A Binding Site BS02

Receptor Information
>3u3e 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]
VLSEGEWQLVLHVWAKVEADVAGHGQDILIRLFKSHPETLEKFDRFKHLK
TEAEMKASEDLKKHGVTVLTALGAILKKKGHHEAELKPLAQSHATKHKIP
IKYLEFISEAIIHVLHSRHPGDFGADAQGAMNKALELFRKDIAAKYKELG
YQG
Ligand information
Ligand IDIPH
InChIInChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
InChIKeyISWSIDIOOBJBQZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		Oc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)O
FormulaC6 H6 O
NamePHENOL
ChEMBLCHEMBL14060
DrugBankDB03255
ZINCZINC000005133329
PDB chain3u3e 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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PDB3u3e Complex of myoglobin with phenol bound in a proximal cavity.
Resolution1.21 Å
Binding residue
(original residue number in PDB)		L89 A90 H93 L104 F138 I142
Binding residue
(residue number reindexed from 1)		L89 A90 H93 L104 F138 I142
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:3u3e, PDBe:3u3e, PDBj:3u3e
PDBsum3u3e
PubMed23192025
UniProtP02185|MYG_PHYMC Myoglobin (Gene Name=MB)

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