Structure of PDB 8ejn Chain A Binding Site BS02

Receptor Information
>8ejn Chain A (length=137) Species: 129555 (Amphitrite ornata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GFKQDIATIRGDLRTYAQDIFLAFLNKYPDERRYFKNYVGKSDQELKSMA
KFGDHTEKVFNLMMEVADRATDCVPLASDANTLVQMKQHSSLTTGNFEKL
FVALVEYMRASGQSFDSQSWDRFGKNLVSALSSAGMK
Ligand information
Ligand ID5JC
InChIInChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChIKeyHFZWRUODUSTPEG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1ccc(Cl)cc1Cl
ACDLabs 12.01Clc1c(ccc(c1)Cl)O
OpenEye OEToolkits 1.7.6c1cc(c(cc1Cl)Cl)O
FormulaC6 H4 Cl2 O
Name2,4-dichlorophenol
ChEMBLCHEMBL1143
DrugBank
ZINCZINC000000388057
PDB chain8ejn 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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PDB8ejn Comparative study of the binding and activation of 2,4-dichlorophenol by dehaloperoxidase A and B.
Resolution1.481 Å
Binding residue
(original residue number in PDB)		F21 F35 H55 T56 V59
Binding residue
(residue number reindexed from 1)		F21 F35 H55 T56 V59
Annotation score1
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:8ejn, PDBe:8ejn, PDBj:8ejn
PDBsum8ejn
PubMed37480762
UniProtQ9NAV8

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