Structure of PDB 7zgc Chain A Binding Site BS01

Receptor Information
>7zgc Chain A (length=298) 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
KQIPAENLPVKFGGKSEVDESKGGLYLSDIGPWRDPKYIGPEGEAPEA
Ligand information
Ligand IDIUO
InChIInChI=1S/C17H15ClFN3O3/c18-13-6-5-12(11-16(13)22(24)25)17(23)21-9-7-20(8-10-21)15-4-2-1-3-14(15)19/h1-6,11H,7-10H2
InChIKeyLSPJXCGEFJDMHA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(c(c1)N2CCN(CC2)C(=O)c3ccc(c(c3)[N+](=O)[O-])Cl)F
CACTVS 3.385[O-][N+](=O)c1cc(ccc1Cl)C(=O)N2CCN(CC2)c3ccccc3F
FormulaC17 H15 Cl F N3 O3
Name(4-chloranyl-3-nitro-phenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
ChEMBLCHEMBL4764984
DrugBank
ZINCZINC000001167681
PDB chain7zgc Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7zgc Mechanisms by which small molecules of diverse chemotypes arrest Sec14 lipid transfer activity.
Resolution2.236 Å
Binding residue
(original residue number in PDB)		E124 Y151 V154 S173 V194 S201 Y205 R208 M209
Binding residue
(residue number reindexed from 1)		E122 Y149 V152 S171 V192 S199 Y203 R206 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

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7zgc, PDBe:7zgc, PDBj:7zgc
PDBsum7zgc
PubMed36603766
UniProtP24280|SEC14_YEAST SEC14 cytosolic factor (Gene Name=SEC14)

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