Structure of PDB 7zga Chain A Binding Site BS01

Receptor Information
>7zga Chain A (length=296) 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
KQIPAENLPVKFGGKSEVDESKGGLYLSDIGPWRDPKYIGPEGEAP
Ligand information
Ligand IDIUF
InChIInChI=1S/C20H22Cl3N3O6/c1-24-7-11(18(27)31-2)5-13-12-3-4-14(26(29)30)17-16(12)10(6-15(13)24)8-25(17)19(28)32-9-20(21,22)23/h3-4,10-11,13,15H,5-9H2,1-2H3/t10-,11-,13+,15+/m1/s1
InChIKeyNQHZXZRFBLSAPZ-ZSEWYUTFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN1CC(CC2C1CC3CN(c4c3c2ccc4[N+](=O)[O-])C(=O)OCC(Cl)(Cl)Cl)C(=O)OC
CACTVS 3.385COC(=O)[C@@H]1C[C@@H]2[C@H](C[C@@H]3CN(C(=O)OCC(Cl)(Cl)Cl)c4c(ccc2c34)[N+]([O-])=O)N(C)C1
CACTVS 3.385COC(=O)[CH]1C[CH]2[CH](C[CH]3CN(C(=O)OCC(Cl)(Cl)Cl)c4c(ccc2c34)[N+]([O-])=O)N(C)C1
OpenEye OEToolkits 2.0.7CN1C[C@@H](C[C@@H]2[C@@H]1C[C@@H]3CN(c4c3c2ccc4[N+](=O)[O-])C(=O)OCC(Cl)(Cl)Cl)C(=O)OC
FormulaC20 H22 Cl3 N3 O6
Name~{O}9-methyl ~{O}4-[2,2,2-tris(chloranyl)ethyl] (5~{a}~{S},6~{a}~{S},9~{R},10~{a}~{S})-7-methyl-3-nitro-5,5~{a},6,6~{a},8,9,10,10~{a}-octahydroindolo[4,3-fg]quinoline-4,9-dicarboxylate
ChEMBL
DrugBank
ZINC
PDB chain7zga Chain A Residue 301 [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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PDB7zga Mechanisms by which small molecules of diverse chemotypes arrest Sec14 lipid transfer activity.
Resolution2.302 Å
Binding residue
(original residue number in PDB)		Y122 Y151 V154 S173 T175 S201 Y205 R208 M209 F212
Binding residue
(residue number reindexed from 1)		Y120 Y149 V152 S171 T173 S199 Y203 R206 M207 F210
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7zga, PDBe:7zga, PDBj:7zga
PDBsum7zga
PubMed36603766
UniProtP24280|SEC14_YEAST SEC14 cytosolic factor (Gene Name=SEC14)

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