Structure of PDB 4h0b Chain A Binding Site BS03

Receptor Information
>4h0b 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
KTEAEMKASEDLKKHTVTVLTALGAILKKKGHHEAELKPLAQSHATKHKI
PIKYLEFISEAIIHVLHSRHPGDFGADAQGAMNKALELFRKDIAAKYKEL
GYQG
Ligand information
Ligand IDDMS
InChIInChI=1S/C2H6OS/c1-4(2)3/h1-2H3
InChIKeyIAZDPXIOMUYVGZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[S](C)=O
ACDLabs 10.04sulfinyldimethane
OpenEye OEToolkits 1.5.0CS(=O)C
FormulaC2 H6 O S
NameDIMETHYL SULFOXIDE
ChEMBLCHEMBL504
DrugBankDB01093
ZINCZINC000005224188
PDB chain4h0b Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4h0b Complex of myoglobin with phenol bound in a proximal cavity.
Resolution1.26 Å
Binding residue
(original residue number in PDB)		L89 H93 L104 F138 I142
Binding residue
(residue number reindexed from 1)		L90 H94 L105 F139 I143
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4h0b, PDBe:4h0b, PDBj:4h0b
PDBsum4h0b
PubMed23192025
UniProtP02185|MYG_PHYMC Myoglobin (Gene Name=MB)

[Back to BioLiP]