Structure of PDB 6lkn Chain C Binding Site BS01

Receptor Information
>6lkn 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]
RPDNTAFKQQRLPAWQPILTAGTVLPIFFIIGLIFIPIGIGIFVTSNNIR
EIEIDYTGTEPSSPCNKCLSPDVTPCFCTINFTLEKSFEGNVFMYYGLSN
FYQNHRRYVKSRDDSQLNGDSSALLNPSKECEPYRRNEDKPIAPCGAIAN
SMFNDTLELFLIGQDSYPIPIALKKKGIAWWTDKNVKFRNPPGGDNLEER
FKGTTKPVNWLKPVYMLDSDPDNNGFINEDFIVWMRTAALPTFRKLYRLI
ERKSDLHPTLPAGRYWLNVTYNYPVHYFDGRKRMILSTISWMGGKNPFLG
IAYIAVGSISFLLGVVLLVINHKY
Ligand information
Ligand IDP5S
InChIInChI=1S/C42H82NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39H,3-37,43H2,1-2H3,(H,46,47)(H,48,49)/t38-,39+/m1/s1
InChIKeyTZCPCKNHXULUIY-RGULYWFUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC
CACTVS 3.370CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC
ACDLabs 12.01O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC
FormulaC42 H82 N O10 P
NameO-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine;
phosphatidyl serine
ChEMBLCHEMBL4297669
DrugBankDB00144
ZINCZINC000085588270
PDB chain6lkn Chain C Residue 401 [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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PDB6lkn Crystal structure of a human plasma membrane phospholipid flippase.
Resolution3.9 Å
Binding residue
(original residue number in PDB)		R132 R133 K136
Binding residue
(residue number reindexed from 1)		R106 R107 K110
Annotation score4
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
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Cellular Component
External links
PDB RCSB:6lkn, PDBe:6lkn, PDBj:6lkn
PDBsum6lkn
PubMed32493773
UniProtQ9NV96|CC50A_HUMAN Cell cycle control protein 50A (Gene Name=TMEM30A)

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