Structure of PDB 6l47 Chain B Binding Site BS03

Receptor Information
>6l47 Chain B (length=416) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QGKIFIARRSLLDELLEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRL
VLEFSLLSYAFGKFPTVVWTWWIMFLSTFSVPYFLFQHWATGYSKSSHPL
IRSLFHGFLFMIFQIGVLGFGPTYVVLAYTLPPASRFIIIFEQIRFVMKA
HSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRNPT
VRWGYVAMKFAQVFGCFFYVYYIFERLCAPLFRNIKQEPFSARVLVLCVF
NSILPGVLILFLTFFAFLHCWLNAFAEMLRFGDRMFYKDWWNSTSYSNYY
RTWNVVVHDWLYYYAYKDFLWFFSKRFKSAAMLAVFAVSAVVHEYALAVC
LSFFYPVLFVLFMFFGMAFNFPIWNVLMWTSLFLGNGVLLCFYSQEWYAR
QHCPLKDYVRPRSWTC
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 chain6l47 Chain B Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6l47 Structural insights into the inhibition mechanism of human sterol O-acyltransferase 1 by a competitive inhibitor.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		Y142 F145 C333 Y336 F378 F382 W408
Binding residue
(residue number reindexed from 1)		Y25 F28 C216 Y219 F261 F265 W291
Annotation score5
Enzymatic activity
Enzyme Commision number 2.3.1.26: sterol O-acyltransferase.
Gene Ontology
Molecular Function
GO:0008374 O-acyltransferase activity
GO:0034736 cholesterol O-acyltransferase activity
Biological Process
GO:0042632 cholesterol homeostasis
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6l47, PDBe:6l47, PDBj:6l47
PDBsum6l47
PubMed32424158
UniProtP35610|SOAT1_HUMAN Sterol O-acyltransferase 1 (Gene Name=SOAT1)

[Back to BioLiP]