Structure of PDB 5h2d Chain A Binding Site BS01

Receptor Information
>5h2d Chain A (length=418) 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
KPNNQVVGILLGNPQVDNYGDVKIVNHNTGDYCMIHFKARGSAYEVKGEV
YNAKGGKEWIFGGRWNESVSAKKVLKPNSLEEMQVTSSGGPKYDGTRFNV
WHVNERPEFPFNLTKFAVTLNAPQPHLLPWLPPTDTRLRPDQRAMEEGRY
DEAATEKHRVEERQRSVRKKREEKNITYQQRWFKKEIHPVTKCDYWKFNG
EYWKQRRDHKLADEGDIF
Ligand information
Ligand IDERG
InChIInChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1
InChIKeyDNVPQKQSNYMLRS-APGDWVJJSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C
OpenEye OEToolkits 1.5.0CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C
CACTVS 3.341CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
CACTVS 3.341CC(C)[CH](C)C=C[CH](C)[CH]1CC[CH]2C3=CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
ACDLabs 10.04OC4CCC3(C(=CC=C1C3CCC2(C(C(/C=C/C(C)C(C)C)C)CCC12)C)C4)C
FormulaC28 H44 O
NameERGOSTEROL
ChEMBLCHEMBL1232562
DrugBankDB04038
ZINCZINC000004084618
PDB chain5h2d 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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PDB5h2d Structure of Yeast OSBP-Related Protein Osh1 Reveals Key Determinants for Lipid Transport and Protein Targeting at the Nucleus-Vacuole Junction
Resolution1.6 Å
Binding residue
(original residue number in PDB)		M859 R877 V919 A920 F982 H984 K1007 V1012
Binding residue
(residue number reindexed from 1)		M53 R71 V113 A114 F176 H178 K201 V206
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:5h2d, PDBe:5h2d, PDBj:5h2d
PDBsum5h2d
PubMed28319008
UniProtQ6CUK7

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