Structure of PDB 8w1f Chain B Binding Site BS01

Receptor Information
>8w1f Chain B (length=170) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVQTLRDRARKNIQEGAVTEGYSADRQTVLRLLNEALATELVCFLRYKRH
YFMATGLKASIAAAEFLEHANQEMQHADQLAERIMQLGGEPDFNPRGLEE
RSHAEYVEGKTLKDMVTENLIAERIAIDSYREIITYLGNDDPTTRRIFEE
ILAQEEEHADDMADILDDLA
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8w1f 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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PDB8w1f Pseudomonas aeruginosa gene PA4880 encodes a Dps-like protein with a Dps fold, bacterioferritin-type ferroxidase centers, and endonuclease activity
Resolution3.0 Å
Binding residue
(original residue number in PDB)		E72 E75 H76 D168
Binding residue
(residue number reindexed from 1)		E65 E68 H69 D161
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004322 ferroxidase activity
GO:0005506 iron ion binding
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0006880 intracellular sequestering of iron ion
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8w1f, PDBe:8w1f, PDBj:8w1f
PDBsum8w1f
PubMed38841187
UniProtQ9HUT3

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