Structure of PDB 8u56 Chain A Binding Site BS02

Receptor Information
>8u56 Chain A (length=541) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSITRLFPALLECFGIVLCGYIAGRANVITSTQAKGLGNFVSRFALPALL
FKNMVVLNFSNVDWSFLYSILIAKASVFFIVCVLTLLVASPDSRFSKAGL
FPIFATQSNDFALGYPIVEALYQTTYPEYLQYIYLVAPISLMMLNPIGFI
FCEIQKWKKIKIVGLGLLRVLQNPIVFMVFIGIAFNFILDRKVPVYVENF
LDGLGNSFSGSALFYLGLTMVGKIKRLKKSAFVVLILLITAKLLVLPLLC
REMVELLDKGDSVVNHTSLSNYAFLYGVFPVAPGVAIFATQFNMEVEIIT
SGMVISTFVSAPIMYVSAWLLTFPTMDPKPLAYAIQNVSFDISIVSLISL
IWSLAILLLSKKYKQLPHMLTTNLLIAQSIVCAGMMIWNFVKEKNFVGQI
LVFVLLYSSLYSTYLWTGLLAISLFLLKKRVGIIIISGWGIPALLVGVLL
ISAFFYGKEQMITTAVTLFCSILIAGISLMCMNQLTRHVLLCLLLIIGLF
ANLSSCLWWLFNLYVELQFFCAVFNFGQGFISFGIFGLDKH
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 chain8u56 Chain A Residue 902 [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]
PDB8u56 Lysosomal GPCR-like protein LYCHOS signals cholesterol sufficiency to mTORC1.
Resolution2.75 Å
Binding residue
(original residue number in PDB)		I280 I283 T284 I349 L660 L664
Binding residue
(residue number reindexed from 1)		I236 I239 T240 I305 L490 L494
Annotation score1
External links
PDB RCSB:8u56, PDBe:8u56, PDBj:8u56
PDBsum8u56
PubMed
UniProtQ7Z3F1|LYCHS_HUMAN Lysosomal cholesterol signaling protein (Gene Name=GPR155)

[Back to BioLiP]