Structure of PDB 6onz Chain B Binding Site BS02

Receptor Information
>6onz 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 IDMYJ
InChIInChI=1S/C7H7NO3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3
InChIKeyKDQPMQNHVQVVMR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(ccc1O)N(=O)=O
CACTVS 3.385Cc1cc(ccc1O)[N](=O)=O
ACDLabs 12.01Cc1c(O)ccc(c1)N(=O)=O
FormulaC7 H7 N O3
Name2-methyl-4-nitrophenol
ChEMBLCHEMBL107610
DrugBank
ZINCZINC000025723409
PDB chain6onz Chain B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6onz The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		F21 F35 Y38 H55 T56 V59 F60
Binding residue
(residue number reindexed from 1)		F21 F35 Y38 H55 T56 V59 F60
Annotation score1
Binding affinityMOAD: Kd=155uM
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:6onz, PDBe:6onz, PDBj:6onz
PDBsum6onz
PubMed31445024
UniProtQ9NAV7

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