Structure of PDB 7zg9 Chain B Binding Site BS01

Receptor Information
>7zg9 Chain B (length=294) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TQQEKEFLESYPQNCPPDALPGTPGNLDSAQEKALAELRKLLEDAGFIER
LDDSTLLRFLRARKFDVQLAKEMFENCEKWRKDYGTDTILQDFHYDEKPL
IAKFYPQYYHKTDKDGRPVYFEELGAVNLHEMNKVTSEERMLKNLVWEYE
SVVQYRLPACSRAAGHLVETSCTIMDLKGISISSAYSVMSYVREASYISQ
NYYPERMGKFYIINAPFGFSTAFRLFKPFLDPVTVSKIFILGSSYQKELL
KQIPAENLPVKFGGKSEVDGLYLSDIGPWRDPKYIGPEGEAPEA
Ligand information
Ligand IDKO0
InChIInChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15-,16+,17+,18+,19-,20-,21+/m0/s1
InChIKeyFMPNFDSPHNUFOS-YOASDKSVSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[CH]1CCC[CH](C=C[CH]2[CH]3CCCC[CH]3C[CH]4[CH]2[CH](C)OC4=O)N1C
CACTVS 3.385C[C@H]1CCC[C@H](/C=C/[C@H]2[C@@H]3CCCC[C@@H]3C[C@H]4[C@@H]2[C@H](C)OC4=O)N1C
OpenEye OEToolkits 2.0.7CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C
OpenEye OEToolkits 2.0.7C[C@H]1CCC[C@@H](N1C)/C=C/[C@H]2[C@@H]3CCCC[C@@H]3C[C@H]4[C@@H]2[C@@H](OC4=O)C
FormulaC22 H35 N O2
NameHimbacine;
(3S,3aR,4S,4R,8aR,9aS)-4-[(E)-2-[(2R,6S)-1,6-dimethylpiperidin-2-yl]ethenyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one
ChEMBLCHEMBL57485
DrugBank
ZINCZINC000013443766
PDB chain7zg9 Chain B Residue 401 [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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PDB7zg9 Mechanisms by which small molecules of diverse chemotypes arrest Sec14 lipid transfer activity.
Resolution1.764 Å
Binding residue
(original residue number in PDB)		Y111 Y122 E124 L147 Y151 S173 T175 M177 Y193 M209
Binding residue
(residue number reindexed from 1)		Y109 Y120 E122 L145 Y149 S171 T173 M175 Y191 M207
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008525 phosphatidylcholine transporter activity
GO:0008526 phosphatidylinositol transfer activity
Biological Process
GO:0006896 Golgi to vacuole transport
GO:0015031 protein transport
GO:0015914 phospholipid transport
GO:0030437 ascospore formation
GO:0043001 Golgi to plasma membrane protein transport
GO:0046488 phosphatidylinositol metabolic process
GO:0048194 Golgi vesicle budding
GO:0120009 intermembrane lipid transfer
GO:1901352 negative regulation of phosphatidylglycerol biosynthetic process
GO:2001246 negative regulation of phosphatidylcholine biosynthetic process
Cellular Component
GO:0000139 Golgi membrane
GO:0005737 cytoplasm
GO:0005794 Golgi apparatus
GO:0005829 cytosol
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7zg9, PDBe:7zg9, PDBj:7zg9
PDBsum7zg9
PubMed36603766
UniProtP24280|SEC14_YEAST SEC14 cytosolic factor (Gene Name=SEC14)

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