Structure of PDB 1ewa Chain B Binding Site BS02

Receptor Information
>1ewa 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]
GFKQDIATIRGDLRTYAQDIFLAFLNKYPDERRYFKNYVGKSDQELKSMA
KFGDHTEKVFNLMMEVADRATDCVPLASDANTLVQMKQHSSLTTGNFEKL
FVALVEYMRASGQSFDSQSWDRFGKNLVSALSSAGMK
Ligand information
Ligand IDIOL
InChIInChI=1S/C6H5IO/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKeyVSMDINRNYYEDRN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Ic1ccc(O)cc1
CACTVS 3.341Oc1ccc(I)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1O)I
FormulaC6 H5 I O
Name4-IODOPHENOL
ChEMBLCHEMBL56475
DrugBankDB03002
ZINCZINC000000391103
PDB chain1ewa Chain B Residue 153 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ewa The crystal structure and amino acid sequence of dehaloperoxidase from Amphitrite ornata indicate common ancestry with globins
Resolution2.5 Å
Binding residue
(original residue number in PDB)		F21 F35 H55 T56 V59
Binding residue
(residue number reindexed from 1)		F21 F35 H55 T56 V59
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:1ewa, PDBe:1ewa, PDBj:1ewa
PDBsum1ewa
PubMed10751397
UniProtQ9NAV8

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