Structure of PDB 3rfu Chain B Binding Site BS02

Receptor Information
>3rfu Chain B (length=663) Species: 272624 (Legionella pneumophila subsp. pneumophila str. Philadelphia 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSPEYLDMRRRFWIALMLTIPVVILEMGGHGLKHFISGNGSSWIQLLLAT
PVVLWGGWPFFKRGWQSLKTGQLNMFTLIAMGIGVAWIYSMVAVLWPGVF
PHAFRSQEGVVAVYFEAAAVITTLVLLGQVLELKAREQTGSAIRALLKLV
PESAHRIKEDGSEEEVSLDNVAVGDLLRVRPGEKIPVDGEVQEGRSFVDE
SMVTGEPIPVAKEASAKVIGATINQTGSFVMKALHVGSDTMLARIVQMVS
DAQRSRAPIQRLADTVSGWFVPAVILVAVLSFIVWALLGPQPALSYGLIA
AVSVLIIACPCALGLATPMSIMVGVGKGAQSGVLIKNAEALERMEKVNTL
VVDKTGTLTEGHPKLTRIVTDDFVEDNALALAAALEHQSEHPLANAIVHA
AKEKGLSLGSVEAFEAPTGKGVVGQVDGHHVAIGNARLMQEHGGDNAPLF
EKADELRGKGASVMFMAVDGKTVALLVVEDPIKSSTPETILELQQSGIEI
VMLTGDSKRTAEAVAGTLGIKKVVAEIMPEDKSRIVSELKDKGLIVAMAG
DGVNDAPALAKADIGIAMGTGTDVAIESAGVTLLHGDLRGIAKARRLSES
TMSNIRQNLFFAFIYNVLGVPLAAGVLYPLTGLLLSPMIAAAAMALSSVS
VIINALRLKRVTL
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 chain3rfu Chain B Residue 996 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3rfu Crystal structure of a copper-transporting PIB-type ATPase.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		T428 D624
Binding residue
(residue number reindexed from 1)		T355 D551
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D426 D624 D628
Catalytic site (residue number reindexed from 1) D353 D551 D555
Enzyme Commision number 7.2.2.8: P-type Cu(+) transporter.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0000287 magnesium ion binding
GO:0005215 transporter activity
GO:0005507 copper ion binding
GO:0005524 ATP binding
GO:0015662 P-type ion transporter activity
GO:0016887 ATP hydrolysis activity
GO:0019829 ATPase-coupled monoatomic cation transmembrane transporter activity
GO:0043682 P-type divalent copper transporter activity
GO:0046872 metal ion binding
GO:0140581 P-type monovalent copper transporter activity
Biological Process
GO:0006812 monoatomic cation transport
GO:0006825 copper ion transport
GO:0006878 intracellular copper ion homeostasis
GO:0055070 copper ion homeostasis
GO:0060003 copper ion export
Cellular Component
GO:0005886 plasma membrane
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:3rfu, PDBe:3rfu, PDBj:3rfu
PDBsum3rfu
PubMed21716286
UniProtQ5ZWR1|COPA_LEGPH Copper-exporting P-type ATPase (Gene Name=copA)

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