Structure of PDB 8vzr Chain A Binding Site BS02

Receptor Information
>8vzr 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 IDMWJ
InChIInChI=1S/C7H7BrO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
InChIKeyIWJGMJHAIUBWKT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01c1cc(cc(C)c1O)Br
OpenEye OEToolkits 2.0.7Cc1cc(ccc1O)Br
CACTVS 3.385Cc1cc(Br)ccc1O
FormulaC7 H7 Br O
Name4-bromo-2-methylphenol
ChEMBLCHEMBL224022
DrugBank
ZINCZINC000000054688
PDB chain8vzr 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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PDB8vzr Structural Comparison of Substrate Binding Sites in Dehaloperoxidase A and B.
Resolution1.64 Å
Binding residue
(original residue number in PDB)		F21 F35 Y38 H55 T56 V59
Binding residue
(residue number reindexed from 1)		F21 F35 Y38 H55 T56 V59
Annotation score1
Gene Ontology
Molecular Function
GO:0004601 peroxidase activity
GO:0005344 oxygen carrier activity
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:8vzr, PDBe:8vzr, PDBj:8vzr
PDBsum8vzr
PubMed38959050
UniProtQ9NAV8

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