Structure of PDB 8sqr Chain A Binding Site BS05

Receptor Information
>8sqr Chain A (length=158) Species: 359391 (Brucella abortus 2308) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKGEPKVIERLNEALLLELGAVNQYWLHYRLLNDWGYTRLAKKEREESIE
EMHHADKLIDRIIFLEGFPNLQTVSPRIGQNVKEVLEADLKGEYDARASY
KESREICDKLGDYVSKQLFDELLADEEGHIDFLETQLDLLAKIGGERYGQ
LNAAPADE
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 chain8sqr Chain A Residue 212 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8sqr Crystal Structure of Bacterioferritin (Bfr) from Brucella abortus (iron bound, F16L mutant)
Resolution1.65 Å
Binding residue
(original residue number in PDB)		K43 E46 E47 E50
Binding residue
(residue number reindexed from 1)		K43 E46 E47 E50
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: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
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Cellular Component
External links
PDB RCSB:8sqr, PDBe:8sqr, PDBj:8sqr
PDBsum8sqr
PubMed
UniProtQ2YKI4

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