Structure of PDB 6sld Chain A Binding Site BS01

Receptor Information
>6sld Chain A (length=307) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SILDTYPQICSPNALPGTPGNLTKEQEEALLQFRSILLEKNYKERLDDST
LLRFLRARKFDINASVEMFVETERWREEYGANTIIEDYENNKEAEDKERI
KLAKMYPQYYHHVDKDGRPLYFEELGGINLKKMYKITTEKQMLRNLVKEY
ELFATYRVPACSRRAGYLIETICIVLDLKGISLSNAYHVLSYIKDVADIS
QNYYPERMGKFYIIHSPFGFSTMFKMVKPFLDPVTVSKIFILGSSYKKEL
LKQIPIENLPVKYGGTSVLHNPNDKFYYSDIGPWRDPRYIGPEGEIPNIF
GKFTVTS
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 chain6sld Chain A 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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PDB6sld Structure of the Phosphatidylcholine Binding Mutant of Yeast Sec14 Homolog Sfh1 (S175I,T177I) in Complex with Phosphatidylinositol
Resolution1.4 Å
Binding residue
(original residue number in PDB)		A60 R61 L128 M136 Y153 I177 Y195 I196 S203 Q204 Y207 P208 E209 M211 L234 D235 V237 T238 K241
Binding residue
(residue number reindexed from 1)		A57 R58 L125 M133 Y150 I174 Y192 I193 S200 Q201 Y204 P205 E206 M208 L231 D232 V234 T235 K238
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0031210 phosphatidylcholine binding
GO:0035091 phosphatidylinositol binding
Biological Process
GO:0008150 biological_process
Cellular Component
GO:0005634 nucleus

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6sld, PDBe:6sld, PDBj:6sld
PDBsum6sld
PubMed
UniProtP33324|YKJ1_YEAST CRAL-TRIO domain-containing protein YKL091C (Gene Name=YKL091C)

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