Structure of PDB 7wwg Chain A Binding Site BS01

Receptor Information
>7wwg Chain A (length=357) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLTEDQEVVLKQIWTHLFHLWQVPVDGTHIKIHKALANLDPQTTKKQFWH
DIKNETPDATILKFIRARKWNADKTIAMLGHDLYWRKDTINKIINGGERA
VYENNETGVIKNLELQKATIQGYDNDMRPVILVRPRLHHSSDQTEQELEK
FSLLVIEQSKLFFKENYPASTTILFDLNGFSMSNMDYAPVKFLITCFEAH
YPESLGHLLIHKAPWIFNPIWNIIKNWLDPVVASKIVFTKNIDELHKFIQ
PQYIPRYLGGENDNDLDHYTPPDGSLDVHLKDTETRAMIEKEREELVEQF
LTVTAQWIEHQPLNDPAYIQLQEKRVQLSTALCENYSKLDPYIRSRSVYD
YNGSLKV
Ligand information
Ligand IDB7N
InChIInChI=1S/C45H85O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,37,40-45,48-52H,3-17,19,21-36H2,1-2H3,(H,53,54)/b20-18-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
InChIKeyYOBFISPJJWPPTK-BAAZTTAESA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCC\C=C/CCCCCCCC
ACDLabs 10.04O=C(OCC(OC(=O)CCCCCCC\C=C/CCCCCCCC)COP(=O)(OC1C(O)C(O)C(O)C(O)C1O)O)CCCCCCCCCCCCCCCCC
CACTVS 3.341CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCC\C=C/CCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCCCCCC=CCCCCCCCC
FormulaC45 H85 O13 P
Name(1R)-2-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate
ChEMBL
DrugBank
ZINCZINC000150349236
PDB chain7wwg Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7wwg Structural basis of ligand recognition and transport by Sfh2, a yeast phosphatidylinositol transfer protein of the Sec14 superfamily.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		A118 H189 S203 I224 F226 V241 I245 F248 E249 P253 E254 L256 K286
Binding residue
(residue number reindexed from 1)		A67 H138 S152 I173 F175 V190 I194 F197 E198 P202 E203 L205 K235
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008526 phosphatidylinositol transfer activity
Biological Process
GO:0006869 lipid transport
GO:0006893 Golgi to plasma membrane transport
GO:0009395 phospholipid catabolic process
GO:0015914 phospholipid transport
GO:0043001 Golgi to plasma membrane protein transport
GO:0045717 negative regulation of fatty acid biosynthetic process
GO:0046488 phosphatidylinositol metabolic process
GO:0120009 intermembrane lipid transfer
GO:1901352 negative regulation of phosphatidylglycerol biosynthetic process
GO:2001247 positive regulation of phosphatidylcholine biosynthetic process
Cellular Component
GO:0005628 prospore membrane
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005768 endosome
GO:0005783 endoplasmic reticulum
GO:0005811 lipid droplet
GO:0005829 cytosol

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7wwg, PDBe:7wwg, PDBj:7wwg
PDBsum7wwg
PubMed35775985
UniProtQ06705|CSR1_YEAST Phosphatidylinositol transfer protein CSR1 (Gene Name=CSR1)

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