Structure of PDB 3rgd Chain I Binding Site BS01

Receptor Information
>3rgd Chain I (length=171) Species: 8400 (Aquarana catesbeiana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSQVRQNYHSDCEAAVNRMLNLELYASYTYSSMYAFFDRDDVALHNVAEF
FKEHSHEEREHAEKFMKYQNKRGGRVVLQDIKKPERDEWGNTLEAMQAAL
QLEKTVNQALLDLHKLATDKVDPHLCDFLESEYLEEQVKDIKRIGDFITN
LKRLGLPENGMGEYLFDKHSV
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 chain3rgd Chain I Residue 180 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3rgd Structural insights into the ferroxidase site of ferritins from higher eukaryotes.
Resolution2.89 Å
Binding residue
(original residue number in PDB)		E24 E59 H62
Binding residue
(residue number reindexed from 1)		E23 E58 H61
Annotation score5
Enzymatic activity
Enzyme Commision number 1.16.3.1: ferroxidase.
Gene Ontology
Molecular Function
GO:0004322 ferroxidase activity
GO:0008198 ferrous iron binding
GO:0008199 ferric iron binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0006826 iron ion transport
GO:0006879 intracellular iron ion homeostasis
GO:0006880 intracellular sequestering of iron ion
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3rgd, PDBe:3rgd, PDBj:3rgd
PDBsum3rgd
PubMed22424302
UniProtP07798|FRI2_AQUCT Ferritin, middle subunit

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