Structure of PDB 6k7m Chain A Binding Site BS02

Receptor Information
>6k7m Chain A (length=983) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVRTIFINQPQLTKFCNNHVSTAKYNIITFLPRFLYSQFRRAANSFFLFI
ALLQQIPDVSPTGRYTTLVPLLFILAVAAIKEIIEDIKRHKADNAVNKKQ
TQVLRNGAWEIVHWEKVNVGDIVIIKGKEYIPADTVLLSSSEPQAMCYIE
TSNLDGETNLKIRQGLPATSDIKDVDSLMRISGRIECESPNRHLYDFVGN
IRVPLGADQILLRGAQLRNTQWVHGIVVYTGHDTKLMQNSTSPPLKLSNV
ERITNVQILILFCILIAMSLVCSVGSAIWNRRHSGKDWYLNLNYGGASNF
GLNFLTFIILFNNLIPISLLVTLEVVKFTQAYFINWDLDMHYEPTDTAAM
ARTSNLNEELGQVKYIFSDKTGTLTCNVMQFKKCTIAGVAYGQSSLLENL
QNNHPTAPIICEFLTMMAVCHTAVPERERDKIIYQAASPDEGALVRAAKQ
LNFVFTGRTPDSVIIDSLGQEERYELLNVLEFTSARKRMSVIVRTPSGKL
RLYCKGADTVIYDRLAETSKYKEITLKHLEQFATEGLRTLCFAVAEISES
DFQEWRAVYQRASTSVQNRLLKLEESYELIEKNLQLLGATAIEDKLQDQV
PETIETLMKADIKIWILTGDKQETAINIGHSCKLLKKNMGMIVIFALIID
GKTLKYALTFGVRQYFLDLALSCKAVICCRVSPLQKSEVVEMVKKQVKVV
TLAIGDGANDVSMIQTAHVGVGISGNEGLQAANSSDYSIAQFKYLKNLLM
IHGAWNYNRVSKCILYCFYKNIVLYIIEIWFAFVNGFSGQILFERWCIGL
YNVMFTAMPPLTLGIFERSCRKENMLKYPELYKTSQNALDFNTKVFWVHC
LNGLFHSVILFWFPLKALQYGTAFGNGKTSDYLLLGNFVYTFVVITVCLK
AGLETSYWTWFSHIAIWGSIALWVVFFGIYSSLWPAIPMAPDMSGEAAML
FSSGVFWMGLLFIPVASLLLDVVYKVIKRTAFK
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 chain6k7m Chain A Residue 1303 [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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PDB6k7m Cryo-EM structures capture the transport cycle of the P4-ATPase flippase.
Resolution2.95 Å
Binding residue
(original residue number in PDB)		T411 D786
Binding residue
(residue number reindexed from 1)		T371 D706
Annotation score1
Enzymatic activity
Enzyme Commision number 7.6.2.1: P-type phospholipid transporter.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0000287 magnesium ion binding
GO:0005215 transporter activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0019829 ATPase-coupled monoatomic cation transmembrane transporter activity
GO:0046872 metal ion binding
GO:0090556 phosphatidylserine floppase activity
GO:0140326 ATPase-coupled intramembrane lipid transporter activity
GO:0140346 phosphatidylserine flippase activity
Biological Process
GO:0006869 lipid transport
GO:0007612 learning
GO:0015914 phospholipid transport
GO:0030335 positive regulation of cell migration
GO:0034220 monoatomic ion transmembrane transport
GO:0045332 phospholipid translocation
GO:0048488 synaptic vesicle endocytosis
GO:0061092 positive regulation of phospholipid translocation
GO:0098655 monoatomic cation transmembrane transport
GO:0140331 aminophospholipid translocation
GO:0150104 transport across blood-brain barrier
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005794 Golgi apparatus
GO:0005802 trans-Golgi network
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0012505 endomembrane system
GO:0016020 membrane
GO:0030672 synaptic vesicle membrane
GO:0031090 organelle membrane
GO:0031410 cytoplasmic vesicle
GO:0035577 azurophil granule membrane
GO:0035579 specific granule membrane
GO:0042584 chromaffin granule membrane
GO:0043231 intracellular membrane-bounded organelle
GO:0045202 synapse
GO:0070062 extracellular exosome
GO:0098978 glutamatergic synapse
GO:1990531 phospholipid-translocating ATPase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6k7m, PDBe:6k7m, PDBj:6k7m
PDBsum6k7m
PubMed31416931
UniProtQ9Y2Q0|AT8A1_HUMAN Phospholipid-transporting ATPase IA (Gene Name=ATP8A1)

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