Structure of PDB 4fh7 Chain A Binding Site BS02

Receptor Information
>4fh7 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 IDTBP
InChIInChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKeyBSWWXRFVMJHFBN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Oc1c(Br)cc(Br)cc1Br
OpenEye OEToolkits 1.5.0c1c(cc(c(c1Br)O)Br)Br
ACDLabs 10.04Brc1cc(Br)cc(Br)c1O
FormulaC6 H3 Br3 O
Name2,4,6-TRIBROMOPHENOL
ChEMBLCHEMBL220087
DrugBankDB02417
ZINCZINC000000388234
PDB chain4fh7 Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4fh7 Structural and Kinetic Study of an Internal Substrate Binding Site in Dehaloperoxidase-Hemoglobin A from Amphitrite ornata.
Resolution1.74 Å
Binding residue
(original residue number in PDB)		I20 F21 F24 V59 F60 M63 L100
Binding residue
(residue number reindexed from 1)		I20 F21 F24 V59 F60 M63 L100
Annotation score1
Binding affinityMOAD: Ki=0.51mM
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4fh7, PDBe:4fh7, PDBj:4fh7
PDBsum4fh7
PubMed23480178
UniProtQ9NAV8

[Back to BioLiP]