Structure of PDB 6oo1 Chain B Binding Site BS02

Receptor Information
>6oo1 Chain B (length=137) Species: 129555 (Amphitrite ornata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GFKQDIATLRGDLRTYAQDIFLAFLNKYPDEKRNFKNYVGKSDQELKSMA
KFGDHTEKVFNLMMEVADRATDCVPLASDASTLVQMKQHSGLTTGNFEKL
FVALVEYMRASGQSFDSQSWDRFGKNLVSALSSAGMK
Ligand information
Ligand IDJZ0
InChIInChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
InChIKeyQWVGKYWNOKOFNN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.352
OpenEye OEToolkits 1.7.0		Cc1ccccc1O
FormulaC7 H8 O
Nameo-cresol;
ortho-cresol,2-methylphenol
ChEMBLCHEMBL46931
DrugBank
ZINCZINC000000901022
PDB chain6oo1 Chain B Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6oo1 The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Resolution1.602 Å
Binding residue
(original residue number in PDB)		F21 F35 T56 V59
Binding residue
(residue number reindexed from 1)		F21 F35 T56 V59
Annotation score1
Binding affinityMOAD: Kd=4594uM
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:6oo1, PDBe:6oo1, PDBj:6oo1
PDBsum6oo1
PubMed31445024
UniProtQ9NAV7

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