Structure of PDB 1olm Chain A Binding Site BS01
Receptor Information
>1olm Chain A (length=393) Species:
9606
(Homo sapiens) [
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MSGRVGDLSPRQKEALAKFRENVQDVLPALPNPDDYFLLRWLRARSFDLQ
KSEAMLRKHVEFRKQKDIDNIISWQPPEVIQQYLSGGMCGYDLDGCPVWY
DIIGPLDAKGLLFSASKQDLLRTKMRECELLLQECAHQTTKLGRKVETIT
IIYDCEGLGLKHLWKPAVEAYGEFLCMFEENYPETLKRLFVVKAPKLFPV
AYNLIKPFLSEDTRKKIMVLGANWKEVLLKHISPDQVPVEYGGTMTDPDG
NPKCKSKINYGGDIPRKYYVRDQVKQQYEHSVQISRGSSHQVEYEILFPG
CVLRWQFMSDGADVGFGIFLKERQRAGEMTEVLPNQRYNSHLVPEDGTLT
CSDPGIYVLRFDNTYSFIHAKKVNFTVEVLLPDKASEEKMKQL
Ligand information
Ligand ID
VTQ
InChI
InChI=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
InChIKey
LTVDFSLWFKLJDQ-IEOSBIPESA-N
SMILES
Software
SMILES
CACTVS 3.341
CC(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 10.04
O=C1C(=C(C(=O)C(=C1CCC(O)(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C
OpenEye OEToolkits 1.5.0
CC1=C(C(=O)C(=C(C1=O)C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O)C
CACTVS 3.341
CC(C)CCC[CH](C)CCC[CH](C)CCC[C](C)(O)CCC1=C(C)C(=O)C(=C(C)C1=O)C
OpenEye OEToolkits 1.5.0
CC1=C(C(=O)C(=C(C1=O)C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O)C
Formula
C29 H50 O3
Name
RRR-ALPHA-TOCOPHERYLQUINONE
ChEMBL
CHEMBL1223852
DrugBank
DB14094
ZINC
ZINC000008214693
PDB chain
1olm Chain A Residue 1322 [
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Receptor-Ligand Complex Structure
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PDB
1olm
Supernatant Protein Factor in Complex with Rrr-Alpha-Tocopherylquinone: A Link between Oxidized Vitamin E and Cholesterol Biosynthesis
Resolution
1.95 Å
Binding residue
(original residue number in PDB)
L106 Y153 H162 Y171 L175 L189 I205
Binding residue
(residue number reindexed from 1)
L106 Y153 H162 Y171 L175 L189 I205
Annotation score
1
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
PDBsum
1olm
PubMed
12972248
UniProt
O76054
|S14L2_HUMAN SEC14-like protein 2 (Gene Name=SEC14L2)
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