Structure of PDB 8ox8 Chain A Binding Site BS01

Receptor Information

>8ox8 Chain A (length=1125) Species: 9606 (Homo sapiens)

QPNDEVVPYSDDTWQVKANDRKYHEQPHFMNTSKYANNAIKTYKYNAFTF
IPMNLFEQFKRAANLYFLALLILQAVPQISTLAWYTTLVPLLVVLGVTAI
KDLVDDVARHKMDKEINNRTCEVIKDGRFKVAKWKEIQVGDVIRLKKNDF
VPADILLLSSSEPNSLCYVETAELDGETNLKFKMSLEITDQYLQREDTLA
TFDGFIECEEPNNRLDKFTGTLFWRNTSFPLDADKILLRGCVIRNTDFCH
GLVIFAGADTKIMKNSGKTRFKRTKIDYLMNYMVYTIFVVLILLSAGLAI
GHAYWEAQVGNSSWYLYDGEDDTPSYRGFLIFWGYIIVLNTMVPISLYVS
VEVIRLGQSHFINWDLQMYYAEKDTPAKARTTTLNEQLGQIHYIFSDKTG
TLTQNIMTFKKCCINGQIYGDHRDASQHNHNKIEQVDFSWNTYADGKLAF
YDHYLIEQIQSGKEPEVRQFFFLLAVCHTVMVDRTDGQLNYQAASPDEGA
LVNAARNFGFAFLARTQNTITISELGTERTYNVLAILDFNSDRKRMSIIV
RTPEGNIKLYCKGADTVIYERLHRMNPTKQETQDALDIFANETLRTLCLC
YKEIEEKEFTEWNKKFMAASVASTNRDEALDKVYEEIEKDLILLGATAIE
DKLQDGVPETISKLAKADIKIWVLTGDKKETAENIGFACELLTEDTTICY
GEDINSLLHARMENQRQESFFPPGGNRALIITGSWLNEILLEKRMRTQSK
RRLEAKKEQRQKNFVDLACECSAVICCRVTPKQKAMVVDLVKRYKKAITL
AIGDGANDVNMIKTAHIGVGISGQEGMQAVMSSDYSFAQFRYLQRLLLVH
GRWSYIRMCKFLRYFFYKNFAFTLVHFWYSFFNGYSAQTAYEDWFITLYN
VLYTSLPVLLMGLLDQDVSDKLSLRFPGLYIVGQRDLLFNYKRFFVSLLH
GVLTSMILFFIPLGAYLQTVGQDGEAPSDYQSFAVTIASALVITVNFQIG
LDTSYWTFVNAFSIFGSIALYFGIMFDFHTGTASNALRQPYIWLTIILTV
AVCLLPVVAIRFLSMTIWPSESDKIQKHRKRLKAEEQWQRRQQVFRRGVS
TRRSAYAFSHQRGYADLISSGRSIR

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 8ox8 Chain A Residue 1301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8ox8 Activation and substrate specificity of the human P4-ATPase ATP8B1.
• Resolution: 2.98 Å
• Binding residue (original residue number in PDB): X454 T456 D893
• Binding residue (residue number reindexed from 1): X397 T399 D804
• Annotation score: 1

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:0005319 lipid transporter activity
• GO:0005515 protein binding
• GO:0005524 ATP binding
• GO:0015247 aminophospholipid flippase activity
• GO:0016887 ATP hydrolysis activity
• GO:0046872 metal ion binding
• GO:0090554 phosphatidylcholine floppase activity
• GO:0090556 phosphatidylserine floppase activity
• GO:0140326 ATPase-coupled intramembrane lipid transporter activity
• GO:0140345 phosphatidylcholine flippase activity
• GO:0140346 phosphatidylserine flippase activity
• GO:1901612 cardiolipin binding

Biological Process

• GO:0006855 xenobiotic transmembrane transport
• GO:0006869 lipid transport
• GO:0007030 Golgi organization
• GO:0007605 sensory perception of sound
• GO:0008206 bile acid metabolic process
• GO:0015711 organic anion transport
• GO:0015721 bile acid and bile salt transport
• GO:0015914 phospholipid transport
• GO:0015917 aminophospholipid transport
• GO:0021650 vestibulocochlear nerve formation
• GO:0032534 regulation of microvillus assembly
• GO:0034220 monoatomic ion transmembrane transport
• GO:0045176 apical protein localization
• GO:0045332 phospholipid translocation
• GO:0045892 negative regulation of DNA-templated transcription
• GO:0060119 inner ear receptor cell development
• GO:0140331 aminophospholipid translocation
• GO:1903729 regulation of plasma membrane organization
• GO:2001225 regulation of chloride transport

Cellular Component

• GO:0005654 nucleoplasm
• 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:0016324 apical plasma membrane
• GO:0016604 nuclear body
• GO:0032420 stereocilium
• GO:0042995 cell projection
• GO:1990531 phospholipid-translocating ATPase complex

External links

• PDB: RCSB:8ox8, PDBe:8ox8, PDBj:8ox8
• PDBsum: 8ox8
• PubMed: 37980352
• UniProt: O43520|AT8B1_HUMAN Phospholipid-transporting ATPase IC (Gene Name=ATP8B1)