Structure of PDB 5wvr Chain A Binding Site BS01

Receptor Information
>5wvr Chain A (length=417) Species: 284590 (Kluyveromyces lactis NRRL Y-1140) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STAEQKTKAKVLLEEGSFLGYEDKLRQRLKLGKDDRPSVSLWSVLKSMVG
KDMTRMTLPVSFNEPTSLLQRVAEDLEYADLLNQAASFEDSTLRLLYVAI
FTVSSYASTVKRVAKPFNPLLGETFEYSRPDKSYRFFTEQVSHHPPISAT
WTESPKWDFFGESFVDSKFNGRSFDFKHLGLWYLTIRPDSNGKEELYTYK
KPNNQVVGILLGNPQVDNYGDVKIVNHNTGDYCMIHFKARGAYEVKGEVY
NAKGGKEWIFGGRWNESVSAKKVLKPNSLEEMQVTSSGGPKYDGTRFNVW
HVNERPEFPFNLTKFAVTLNAPQPHLLPWLPPTDTRLRPDQRAMEEGRYD
EAATEKHRVEERQRSVRKKREEKNITYQQRWFKKEIHPVTKCDYWKFNGE
YWKQRRDHKLADEGDIF
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 chain5wvr Chain A Residue 1301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5wvr Structure of Yeast OSBP-Related Protein Osh1 Reveals Key Determinants for Lipid Transport and Protein Targeting at the Nucleus-Vacuole Junction
Resolution2.2 Å
Binding residue
(original residue number in PDB)		L864 R877 Y912 A920 F982 H984 K1007 V1012
Binding residue
(residue number reindexed from 1)		L58 R71 Y106 A114 F176 H178 K201 V206
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:5wvr, PDBe:5wvr, PDBj:5wvr
PDBsum5wvr
PubMed28319008
UniProtQ6CUK7

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