Structure of PDB 3e1n Chain B Binding Site BS04

Receptor Information
>3e1n Chain B (length=156) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKGDTKVINYLNKLLGNELVAINQYFLHARMFKNWGLKRLNDVEYHESID
EMKHADRYIERILFLEGLPNLQDLGKLNIGEDVEEMLRSDLALELDGAKN
LREAIGYADSVHDYVSRDMMIEILRDEEGHIDWLETELDLIQKMGLQNYL
QAQIRE
Ligand information
Ligand IDUNK
InChIInChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChIKeyQWCKQJZIFLGMSD-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCC(C(=O)O)N
OpenEye OEToolkits 1.5.0CC[C@@H](C(=O)O)N
CACTVS 3.341CC[C@H](N)C(O)=O
CACTVS 3.341CC[CH](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)CC
FormulaC4 H9 N O2
NameUNKNOWN
ChEMBLCHEMBL1230782
DrugBank
ZINCZINC000000901351
PDB chain3e1n Chain B Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3e1n Structural basis for iron mineralization by bacterioferritin
Resolution2.8 Å
Binding residue
(original residue number in PDB)		E51 E127
Binding residue
(residue number reindexed from 1)		E51 E127
Annotation score1
Enzymatic activity
Enzyme Commision number 1.16.3.1: ferroxidase.
Gene Ontology
Molecular Function
GO:0004322 ferroxidase activity
GO:0005506 iron ion binding
GO:0005515 protein binding
GO:0008199 ferric iron binding
GO:0015093 ferrous iron transmembrane transporter activity
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
GO:0140315 iron ion sequestering activity
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:0005829 cytosol
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3e1n, PDBe:3e1n, PDBj:3e1n
PDBsum3e1n
PubMed19391621
UniProtP0ABD3|BFR_ECOLI Bacterioferritin (Gene Name=bfr)

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