Structure of PDB 1olm Chain E Binding Site BS01

Receptor Information
>1olm Chain E (length=397) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSGRVGDLSPRQKEALAKFRENVQDVLPALPNPDDYFLLRWLRARSFDLQ
KSEAMLRKHVEFRKQKDIDNIISWQPPEVIQQYLSGGMCGYDLDGCPVWY
DIIGPLDAKGLLFSASKQDLLRTKMRECELLLQECAHQTTKLGRKVETIT
IIYDCEGLGLKHLWKPAVEAYGEFLCMFEENYPETLKRLFVVKAPKLFPV
AYNLIKPFLSEDTRKKIMVLGANWKEVLLKHISPDQVPVEYGGTMTDPDG
NPKCKSKINYGGDIPRKYYVRDQVKQQYEHSVQISRGSSHQVEYEILFPG
CVLRWQFMSDGADVGFGIFLKKKMGERQRAGEMTEVLPNQRYNSHLVPED
GTLTCSDPGIYVLRFDNTYSFIHAKKVNFTVEVLLPDKASEEKMKQL
Ligand information
Ligand IDVTQ
InChIInChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
InChIKeyLTVDFSLWFKLJDQ-IEOSBIPESA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)CCC1=C(C)C(=O)C(=C(C)C1=O)C
ACDLabs 10.04O=C1C(=C(C(=O)C(=C1CCC(O)(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C
OpenEye OEToolkits 1.5.0CC1=C(C(=O)C(=C(C1=O)C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O)C
CACTVS 3.341CC(C)CCC[CH](C)CCC[CH](C)CCC[C](C)(O)CCC1=C(C)C(=O)C(=C(C)C1=O)C
OpenEye OEToolkits 1.5.0CC1=C(C(=O)C(=C(C1=O)C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O)C
FormulaC29 H50 O3
NameRRR-ALPHA-TOCOPHERYLQUINONE
ChEMBLCHEMBL1223852
DrugBankDB14094
ZINCZINC000008214693
PDB chain1olm Chain E Residue 1398 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1olm Supernatant Protein Factor in Complex with Rrr-Alpha-Tocopherylquinone: A Link between Oxidized Vitamin E and Cholesterol Biosynthesis
Resolution1.95 Å
Binding residue
(original residue number in PDB)		L106 Y153 H162 A167 Y171 L175 F178 L189 A201
Binding residue
(residue number reindexed from 1)		L106 Y153 H162 A167 Y171 L175 F178 L189 A201
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005543 phospholipid binding
GO:0008289 lipid binding
GO:0008431 vitamin E binding
Biological Process
GO:0045540 regulation of cholesterol biosynthetic process
GO:0045893 positive regulation of DNA-templated transcription
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1olm, PDBe:1olm, PDBj:1olm
PDBsum1olm
PubMed12972248
UniProtO76054|S14L2_HUMAN SEC14-like protein 2 (Gene Name=SEC14L2)

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