Structure of PDB 4kmv Chain A Binding Site BS02
Receptor Information
>4kmv Chain A (length=137) Species:
129555
(Amphitrite ornata) [
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GFKQDIATIRGDLRTYAQDIFLAFLNKYPDERRYFKNYVGKSDQELKSMA
KFGDHTEKVFNLMMEVADRATDCVPLASDANTLVQMKQHSSLTTGNFEKF
FVALVEYMRASGQSFDSQSWDRFGKNLVSALSSAGMK
Ligand information
Ligand ID
OXY
InChI
InChI=1S/O2/c1-2
InChIKey
MYMOFIZGZYHOMD-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0
O=O
Formula
O2
Name
OXYGEN MOLECULE
ChEMBL
CHEMBL1234886
DrugBank
DB09140
ZINC
PDB chain
4kmv Chain A Residue 202 [
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Receptor-Ligand Complex Structure
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PDB
4kmv
Complexes of dual-function hemoglobin/dehaloperoxidase with substrate 2,4,6-trichlorophenol are inhibitory and indicate binding of halophenol to compound I.
Resolution
1.44 Å
Binding residue
(original residue number in PDB)
H55 V59
Binding residue
(residue number reindexed from 1)
H55 V59
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0004601
peroxidase activity
GO:0005344
oxygen carrier activity
GO:0019825
oxygen binding
GO:0020037
heme binding
GO:0046872
metal ion binding
Biological Process
GO:0015671
oxygen transport
GO:0098869
cellular oxidant detoxification
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Molecular Function
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Biological Process
External links
PDB
RCSB:4kmv
,
PDBe:4kmv
,
PDBj:4kmv
PDBsum
4kmv
PubMed
23952341
UniProt
Q9NAV8
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