Structure of PDB 8u5c Chain F Binding Site BS01

Receptor Information

>8u5c Chain F (length=575) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

PPSMSITRLFPALLECFGIVLCGYIAGRANVITSTQAKGLGNFVSRFALP
ALLFKNMVVLNFSNVDWSFLYSILIAKASVFFIVCVLTLLVASPDSRFSK
AGLFPIFATQSNDFALGYPIVEALYQTTYPEYLQYIYLVAPISLMMLNPI
GFIFCEIQKWKDTQNASQNKIKIVGLGLLRVLQNPIVFMVFIGIAFNFIL
DRKVPVYVENFLDGLGNSFSGSALFYLGLTMVGKIKRLKKSAFVVLILLI
TAKLLVLPLLCREMVELLDKGDSVVNHTSLSNYAFLYGVFPVAPGVAIFA
TQFNMEVEIITSGMVISTAVSAPIMYVSAWLLTFPTMDPKPLAYAIQNVS
FDISIVSLISLIWSLAILLLSKKYKQLPHMLTTNLLIAQSIVCAGMMIWN
FVKEKNFVGQILVFVLLYSSLYSTYLWTGLLAISLFLLKKRERVQIPVGI
IIISGWGIPALLVGVLLITGKHNGDSIDSAFFYGKEQMITTAVTLFCSIL
IAGISLMCMNQQLTRHVLLCLLLIIGLFANLSSCLRWLFNQEPGRLYVEL
QFFCAVFNFGQGFISFGIFGLDKHL

Ligand information

Ligand ID

Y01

InChI

InChI=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

InChIKey

WLNARFZDISHUGS-MIXBDBMTSA-N

SMILES

Software	SMILES
CACTVS 3.352	CC(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 1.6.1	CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
OpenEye OEToolkits 1.6.1	CC(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 3.352	CC(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

Formula

C31 H50 O4

Name

CHOLESTEROL HEMISUCCINATE

PDB chain

8u5c Chain F Residue 900 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8u5c Lysosomal GPCR-like protein LYCHOS signals cholesterol sufficiency to mTORC1.
Resolution	2.68 Å
Binding residue (original residue number in PDB)	F50 Y57 R61 M264 G266 I268 V348 F705 L713
Binding residue (residue number reindexed from 1)	F17 Y24 R28 M231 G233 I235 V315 F563 L571
Annotation score	1

External links

PDB	RCSB:8u5c, PDBe:8u5c, PDBj:8u5c
PDBsum	8u5c
PubMed
UniProt	Q7Z3F1\|LYCHS_HUMAN Lysosomal cholesterol signaling protein (Gene Name=GPR155)

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