Structure of PDB 7m1k Chain B Binding Site BS02

Receptor Information
>7m1k 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 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 B Residue 204 [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)		F21 F35 H55 T56 V59 F60 L100
Binding residue
(residue number reindexed from 1)		F21 F35 H55 T56 V59 F60 L100
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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