Structure of PDB 7x24 Chain A Binding Site BS02

Receptor Information
>7x24 Chain A (length=986) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMDLDDHRLSNTELEQKYGTNIIQGLSSVRATELLARDGPNTLTPPKQTP
EIIKFLKQMVGGFSILLWIGAALCWIAFVIQYVNNSASLDNVYLGAILVL
VVILTGIFAYYQEAKSTNIMASFSKMIPQQALVIRDAEKKVISAEQLVVG
DVVEIKGGDQIPADIRLVFSQGCKVDNSSLTGESEPQARSTEFTHENPLE
TKNIGFYSTTCLEGTATGIVINTGDRTIIGRIASLASGVGSEKTPIAIEI
EHFVHIVAGVAVSIDIIFFITAVCMKYYVLDAIIFLISIIVANVPEGLLA
TVTVTLSLTAKRMAKKNCLVKNLEAVETLGSTSIICSDKTGTLTQNRMTV
AHLWFDNQIFVADTSENQTKQAFDQSSGTWASLSKIITLCNRAEFRPGQE
SVPIMKRTVVGDASETALLKFSEVILGDVMGIRKRNHKVAEIPFNSTNKF
QLSIHETEDPNNKRFLVVMKGAPERILEKCSTIMINGQEQPLDKSSADSF
HTAYMELGGLGERVLGFCHLYLPAEQFPQSYIFDVDSVNFPTSNFCFVGL
LSMIDPPRSTVPDAVSKCRSAGIKVIMVTGDHPITAKAIAKSVGIISANN
ETVEDIAKRRNIAVEQVNKREAKAAVVTGMELKDMTPEQLDELLTNYQEI
VFARTSPQQKLIIVEGCQRQDAIVAVTGDGVNDSPALKKADIGIAMGIAG
SDAAKNAADMVLLDDNFASIVTGVEEGRLIFDNLKKTIAYTLTSNIPELC
PFLIYIVAGLPLPIGTITILFIDLGTDIIPSIALAYEKAESDIMNRKPRH
KKKDRLVNTQLAIYSYLHIGLMQALGGFLVYFTVYAQQGFWPTSLINLRV
AWETDDINDLEDSYGQEWTRYQRKYLEWTGSTAFFVAIMIQQWADLIICK
TRRNSIFQQGLFRNKVIWVGIASQVIVALILSYGLGSVPALSFTMLRVQY
WFVAVPHAILIWVYDEMRKLFIRLYPGSWWDKNMYY
Ligand information
Ligand IDCLR
InChIInChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyHVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
CACTVS 3.341CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ACDLabs 10.04OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
OpenEye OEToolkits 1.5.0CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
CACTVS 3.341CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
FormulaC27 H46 O
NameCHOLESTEROL
ChEMBLCHEMBL112570
DrugBankDB04540
ZINCZINC000003875383
PDB chain7x24 Chain A Residue 1107 [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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PDB7x24 Structure and function of H + /K + pump mutants reveal Na + /K + pump mechanisms.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		W943 L979 Y983 W1001 F1002
Binding residue
(residue number reindexed from 1)		W893 L929 Y933 W951 F952
Annotation score1
Enzymatic activity
Enzyme Commision number 7.2.2.13: Na(+)/K(+)-exchanging ATPase.
7.2.2.19: H(+)/K(+)-exchanging ATPase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0005215 transporter activity
GO:0005391 P-type sodium:potassium-exchanging transporter activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008556 P-type potassium transmembrane transporter activity
GO:0008900 P-type potassium:proton transporter activity
GO:0016887 ATP hydrolysis activity
GO:0046872 metal ion binding
Biological Process
GO:0006813 potassium ion transport
GO:0006814 sodium ion transport
GO:0006883 intracellular sodium ion homeostasis
GO:0006885 regulation of pH
GO:0010038 response to metal ion
GO:0010248 establishment or maintenance of transmembrane electrochemical gradient
GO:0014070 response to organic cyclic compound
GO:0030007 intracellular potassium ion homeostasis
GO:0036376 sodium ion export across plasma membrane
GO:0055075 potassium ion homeostasis
GO:1902600 proton transmembrane transport
GO:1990573 potassium ion import across plasma membrane
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0016323 basolateral plasma membrane
GO:0016324 apical plasma membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7x24, PDBe:7x24, PDBj:7x24
PDBsum7x24
PubMed36085139
UniProtP54708|AT12A_RAT Potassium-transporting ATPase alpha chain 2 (Gene Name=Atp12a)

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