Structure of PDB 4bev Chain A Binding Site BS02

Receptor Information
>4bev Chain A (length=663) Species: 446 (Legionella pneumophila) [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 IDMGF
InChIInChI=1S/3FH.Mg/h3*1H;/q;;;+2/p-3
InChIKeyGJOMWUHGUQLOAC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		F[Mg-](F)F
FormulaF3 Mg
NameTRIFLUOROMAGNESATE
ChEMBL
DrugBank
ZINC
PDB chain4bev Chain A Residue 950 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4bev ATPase Crystal Structure with Bound Phosphate Analogue
Resolution3.583 Å
Binding residue
(original residue number in PDB)		D426 K427 T428 T577
Binding residue
(residue number reindexed from 1)		D353 K354 T355 T504
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:4bev, PDBe:4bev, PDBj:4bev
PDBsum4bev
PubMed
UniProtQ5ZWR1|COPA_LEGPH Copper-exporting P-type ATPase (Gene Name=copA)

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