Structure of PDB 7d0i Chain B Binding Site BS01

Receptor Information
>7d0i Chain B (length=424) Species: 284812 (Schizosaccharomyces pombe 972h-) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WANVENLDSFLQQVYTYYTGKGLSCIIVHRLFQILTVSFVIGFTTFITSP
ITYLVLWLFLSFLLALWIYYLTDIPRLWQMREFYIHALKIATADMPTVSW
QRVLYRLLKLKKRLDAYAIANRIMRKDNYFIALINNGIINIELPLLHRRI
LTHTTEWNINWCIFNFVFDEQGQLRSAFRNPNSRKRLSEELRRRFIVAGF
LNCLFAPIVAIYLVIHNFFRYFNEYHKNPGALSTRRYTPLALWTFREYNE
LQHFFDERINDSYAAASHYVSQFPDFNMIRLFKYISFILGSFTAILVIIT
VFDPSVLFYLGLFGSLIAVSRSIIPDETLVFAPEKALRRVITFTHYMPGW
WSDNMHSKAVQQEFCSLYSYRIVNLLWEILGILLTPVLLFFTFPSCSQDI
VDFFREHTINVEGVGYVCSYAVFQ
Ligand information
Ligand IDLMN
InChIInChI=1S/C47H88O22/c1-3-5-7-9-11-13-15-17-19-47(20-18-16-14-12-10-8-6-4-2,25-62-43-39(60)35(56)41(29(23-50)66-43)68-45-37(58)33(54)31(52)27(21-48)64-45)26-63-44-40(61)36(57)42(30(24-51)67-44)69-46-38(59)34(55)32(53)28(22-49)65-46/h27-46,48-61H,3-26H2,1-2H3/t27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37-,38-,39-,40+,41-,42-,43-,44-,45-,46-/m0/s1
InChIKeyMADJBYLAYPCCOO-XYPZXBMFSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O(CC(CCCCCCCCCC)(CCCCCCCCCC)COC2OC(CO)C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)C4OC(C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O)CO
CACTVS 3.385CCCCCCCCCCC(CCCCCCCCCC)(CO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O)CO[CH]3O[CH](CO)[CH](O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O
CACTVS 3.385CCCCCCCCCCC(CCCCCCCCCC)(CO[C@H]1O[C@@H](CO)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O)CO[C@H]3O[C@@H](CO)[C@H](O[C@@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.9.2CCCCCCCCCCC(CCCCCCCCCC)(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)COC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O
OpenEye OEToolkits 1.9.2CCCCCCCCCCC(CCCCCCCCCC)(CO[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O)O)O)CO[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O[C@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)O)O
FormulaC47 H88 O22
NameLauryl Maltose Neopentyl Glycol;
2,2-didecylpropane-1,3-bis-b-D-maltopyranoside
ChEMBL
DrugBank
ZINC
PDB chain7d0i Chain B Residue 801 [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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PDB7d0i Atg9 is a lipid scramblase that mediates autophagosomal membrane expansion.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		F264 D347 W377 N380 F425 V429 W463
Binding residue
(residue number reindexed from 1)		F62 D127 W157 N160 F205 V209 W243
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0017128 phospholipid scramblase activity
Biological Process
GO:0000045 autophagosome assembly
GO:0000422 autophagy of mitochondrion
GO:0006869 lipid transport
GO:0006914 autophagy
GO:0009056 catabolic process
GO:0016236 macroautophagy
GO:0017121 plasma membrane phospholipid scrambling
GO:0034497 protein localization to phagophore assembly site
GO:0034727 piecemeal microautophagy of the nucleus
GO:0061709 reticulophagy
Cellular Component
GO:0000139 Golgi membrane
GO:0000329 fungal-type vacuole membrane
GO:0000407 phagophore assembly site
GO:0005776 autophagosome
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0005794 Golgi apparatus
GO:0016020 membrane
GO:0030659 cytoplasmic vesicle membrane
GO:0031410 cytoplasmic vesicle
GO:0034045 phagophore assembly site membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7d0i, PDBe:7d0i, PDBj:7d0i
PDBsum7d0i
PubMed33106658
UniProtO74312|ATG9_SCHPO Autophagy-related protein 9 (Gene Name=atg9)

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