Structure of PDB 7m1k Chain A Binding Site BS02

Receptor Information
>7m1k 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]
GFKQDIATLRGDLRTYAQDIFLAFLNKYPDEKRNFKNYVGKSDQELKSMA
KFGDHTEKVFNLMMEVADRATDCVPLASDASTLVQMKQHSGLTTGNFEKL
FVALVEYMRASGQSFDSQSWDRFGKNLVSALSSAGMK
Ligand information
Ligand IDFFP
InChIInChI=1S/C6H4F2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChIKeyCKKOVFGIBXCEIJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Fc1cccc(F)c1O
OpenEye OEToolkits 1.5.0c1cc(c(c(c1)F)O)F
CACTVS 3.341Oc1c(F)cccc1F
FormulaC6 H4 F2 O
Name2,6-DIFLUOROPHENOL
ChEMBLCHEMBL1232721
DrugBank
ZINCZINC000000388530
PDB chain7m1k Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7m1k Bridging the functional gap between reactivity and inhibition in dehaloperoxidase B from Amphitrite ornata: Mechanistic and structural studies with 2,4- and 2,6-dihalophenols.
Resolution1.795 Å
Binding residue
(original residue number in PDB)		L62 D79 T82 L83
Binding residue
(residue number reindexed from 1)		L62 D79 T82 L83
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:7m1k, PDBe:7m1k, PDBj:7m1k
PDBsum7m1k
PubMed35969974
UniProtQ9NAV7

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