Structure of PDB 6k7i Chain C Binding Site BS01

Receptor Information
>6k7i Chain C (length=324) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PDNTAFKQQRLPAWQPILTAGTVLPIFFIIGLIFIPIGIGIFVTSNNIRE
IEIDYTGTEPSSPCNKCLSPDVTPCFCTINFTLEKSFEGNVFMYYGLSNF
YQNHRRYVKSRDDSQLNGDSSALLNPSKECEPYRRNEDKPIAPCGAIANS
MFNDTLELFLIGNDSYPIPIALKKKGIAWWTDKNVKFRNPPGGDNLEERF
KGTTKPVNWLKPVYMLDSDPDNNGFINEDFIVWMRTAALPTFRKLYRLIE
RKSDLHPTLPAGRYSLNVTYNYPVHYFDGRKRMILSTISWMGGKNPFLGI
AYIAVGSISFLLGVVLLVINHKYR
Ligand information
Ligand IDY01
InChIInChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
InChIKeyWLNARFZDISHUGS-MIXBDBMTSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(O)=O
OpenEye OEToolkits 1.6.1CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
OpenEye OEToolkits 1.6.1CC(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)OC(=O)CCC(=O)O)C)C
CACTVS 3.352CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)CCC(O)=O
FormulaC31 H50 O4
NameCHOLESTEROL HEMISUCCINATE
ChEMBL
DrugBank
ZINCZINC000058638837
PDB chain6k7i Chain C Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6k7i Cryo-EM structures capture the transport cycle of the P4-ATPase flippase.
Resolution3.22 Å
Binding residue
(original residue number in PDB)		F324 I327 A328
Binding residue
(residue number reindexed from 1)		F297 I300 A301
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005198 structural molecule activity
GO:0005515 protein binding
GO:0015247 aminophospholipid flippase activity
Biological Process
GO:0006855 xenobiotic transmembrane transport
GO:0006869 lipid transport
GO:0010976 positive regulation of neuron projection development
GO:0015917 aminophospholipid transport
GO:0036010 protein localization to endosome
GO:0045332 phospholipid translocation
GO:0061092 positive regulation of phospholipid translocation
GO:0070863 positive regulation of protein exit from endoplasmic reticulum
GO:0140331 aminophospholipid translocation
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005794 Golgi apparatus
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0016324 apical plasma membrane
GO:0030658 transport vesicle membrane
GO:0031410 cytoplasmic vesicle
GO:0031901 early endosome membrane
GO:0031902 late endosome membrane
GO:0035577 azurophil granule membrane
GO:0035579 specific granule membrane
GO:1990531 phospholipid-translocating ATPase complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6k7i, PDBe:6k7i, PDBj:6k7i
PDBsum6k7i
PubMed31416931
UniProtQ9NV96|CC50A_HUMAN Cell cycle control protein 50A (Gene Name=TMEM30A)

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