Structure of PDB 8vsk Chain BBB Binding Site BS02

Receptor Information
>8vsk Chain BBB (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 IDY8I
InChIInChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChIKeyFAXWFCTVSHEODL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c(cc1Br)Br)O
CACTVS 3.385Oc1ccc(Br)cc1Br
FormulaC6 H4 Br2 O
Name2,4-bis(bromanyl)phenol
ChEMBLCHEMBL186858
DrugBank
ZINCZINC000000358476
PDB chain8vsk Chain BBB Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8vsk Structural Comparison of Substrate Binding Sites in Dehaloperoxidase A and B.
Resolution1.515 Å
Binding residue
(original residue number in PDB)		F21 F35 H55 T56 V59 F60 L100
Binding residue
(residue number reindexed from 1)		F21 F35 H55 T56 V59 F60 L100
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:8vsk, PDBe:8vsk, PDBj:8vsk
PDBsum8vsk
PubMed38959050
UniProtQ9NAV8

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