Structure of PDB 7ky7 Chain A Binding Site BS04

Receptor Information
>7ky7 Chain A (length=884) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GFASVPLIVIVIITAIKDGIEDSRTKKSRISRELNFSVILNFVLLFILCF
TAGIVNGVYYKQKPRSRDYFEFSTNGFVSFWVAVILYQSLVPISLYISVE
IIKTAQAIFIYTDVLLYNAKLDYPCTPKSWNISDDLGQIEYIFSDKTGTL
TQNVMEFKKCTINGVSYGRAYTEALAGLRKRQGVDVESEGRREKEEIAKD
RETMIDELRSMSDNTQFCPEDLTFVSKEIVEDLKGSSGDHQQKCCEHFLL
ALALCHSVLVEPNKDDPKKLDIKAQSPDESALVSTARQLGYSFVGSSKSG
LIVEIQGVQKEFQVLNVLEFNSSRKRMSCIIKIPKGADSVIYSRLDRNDA
TLLEKTALHLEEYATEGLRTLCLAQREEYERWVKTYDVAAASVTNREEEL
DKVTDVIERELILLGGTAIEDRLQDGVPDSIALLAEAGIKLWVLTGDKVE
TAINIGFSCNVLNNDMELLVVKASGEDVSDPIQVVNNLVTKYLREKFGMS
GSEEELKEAKREHGLPQGNFAVIIDGDALKVALNGEEMRRKFLLLCKNCK
AVLCCRVSPAQKAAVVKLVKKTLDVMTLAIGDGSNDVAMIQSADVGVGIA
GEEGRQAVMCSDYAIGQFRYVTRLVLVHGKWCYKRLAEMIPQFFYKNVIF
TLSLFWYGIYNNFDGSYLFEYTYLTFYNLAFTSVPVILLAVLDQDVSDTV
SMLVPQLYRVGILRKEWNQTKFLWYMLDGVYQSVICFFFPYLAYHKNMVV
TENGLGLDHRYFVGVFVTAIAVTSCNFYVFMEQYRWDWFCGLFICLSLAV
FYGWTGIWTSSSSSNEFYKGAARVFAQPAYWAVLFVGVLFCLLPRFTIDC
IRKIFYPKDIEIVREMWLRGDFDLYPQGYDPTDP
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 chain7ky7 Chain A Residue 2006 [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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PDB7ky7 Transport mechanism of P4 ATPase phosphatidylcholine flippases.
Resolution3.08 Å
Binding residue
(original residue number in PDB)		W1315 L1318 D1319 P1435 R1436 I1439
Binding residue
(residue number reindexed from 1)		W724 L727 D728 P844 R845 I848
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:0015247 aminophospholipid flippase activity
GO:0016887 ATP hydrolysis activity
GO:0046872 metal ion binding
GO:0090554 phosphatidylcholine floppase activity
GO:0090555 phosphatidylethanolamine flippase activity
GO:0090556 phosphatidylserine floppase activity
GO:0140326 ATPase-coupled intramembrane lipid transporter activity
GO:0140346 phosphatidylserine flippase activity
GO:0140351 glycosylceramide flippase activity
Biological Process
GO:0006869 lipid transport
GO:0006897 endocytosis
GO:0007163 establishment or maintenance of cell polarity
GO:0015031 protein transport
GO:0015914 phospholipid transport
GO:0045332 phospholipid translocation
GO:0099040 ceramide translocation
GO:0140331 aminophospholipid translocation
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005886 plasma membrane
GO:0005935 cellular bud neck
GO:0016020 membrane
GO:0070867 mating projection tip membrane
GO:0071944 cell periphery
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:7ky7, PDBe:7ky7, PDBj:7ky7
PDBsum7ky7
PubMed33320091
UniProtQ12675|ATC4_YEAST Phospholipid-transporting ATPase DNF2 (Gene Name=DNF2)

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