Structure of PDB 4toa Chain R Binding Site BS02

Receptor Information
>4toa Chain R (length=155) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KGDKKVIQHLNKILGNELIAINQYFLHSRMWNDWGLKRLGAHEYHESIDE
MKHADKLIERILFLEGLPNLQDLGKLLIGENTQEMLQCDLNLELKATKDL
REAIVHCEQVHDYVSRDLLKDILESEEEHIDYLETQLGLIQKVGLELYLQ
SHMHE
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain4toa Chain R Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4toa Concerted motions networking pores and distant ferroxidase centers enable bacterioferritin function and iron traffic.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		H10 H107
Binding residue
(residue number reindexed from 1)		H9 H106
Annotation score5
Enzymatic activity
Enzyme Commision number 1.16.3.1: ferroxidase.
Gene Ontology
Molecular Function
GO:0004322 ferroxidase activity
GO:0005506 iron ion binding
GO:0008199 ferric iron binding
GO:0015093 ferrous iron transmembrane transporter activity
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
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
GO:0034755 iron ion transmembrane transport
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0070288 ferritin complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4toa, PDBe:4toa, PDBj:4toa
PDBsum4toa
PubMed25640193
UniProtQ9HY79

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