Structure of PDB 4itw Chain B Binding Site BS01

Receptor Information
>4itw Chain B (length=158) Species: 37319 (Pseudo-nitzschia multiseries) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEELLDLFNRQVTQEFTASQVYLSASIWFDQNDWEGMAAYMLAESAEERE
HGLGFVDFANKRNIPIELQAVPAPVSCAEWSSPEDVWQSILELEQANTRS
LLNLAEAASTCHDFAVMAFLNPFHLQQVNEEDKIGSILAKVTDENRTPGL
LRSLDVVS
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain4itw Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4itw Mechanism of ferrous iron binding and oxidation by ferritin from a pennate diatom.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E15 E48 H51
Binding residue
(residue number reindexed from 1)		E15 E48 H51
Annotation score5
Enzymatic activity
Enzyme Commision number 1.16.3.1: ferroxidase.
Gene Ontology
Molecular Function
GO:0008199 ferric iron binding
Biological Process
GO:0006826 iron ion transport
GO:0006879 intracellular iron ion homeostasis

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Molecular Function
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Biological Process
External links
PDB RCSB:4itw, PDBe:4itw, PDBj:4itw
PDBsum4itw
PubMed23548912
UniProtB6DMH6

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