Structure of PDB 8tqm Chain A Binding Site BS01

Receptor Information
>8tqm Chain A (length=843) Species: 1247190 (Saccharomyces cerevisiae BY4741) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FSLLLSKSILTFFEKARLALTIGLAAVLYIIGVPLVWNMFGKLYTMMLDG
SSPYPGDFLKSLIYGYDQSATPELTTRAIFYQLLQNHSFTSLQFIMIVIL
HIALYFQYDMIVREDVFSKMVFHKIGPRINLKLKLLNVIAYFIIAVVFTA
IYLAISYLFPTFIGFGLLKIYFGIFKVILRGLCHLYYLSWISDHLIHDII
YLYNGYTENTMKHSIFIRALPALTTYLTSVSIVCASSNLVSRGYGRENGM
SNPTRRLIFQILFALKCTFKVFTLFFIELAGFPILAGVMLDFSLFCPILA
SNSRMLWVPSICAIWPPFSLFVYWTIGTLYMYWFAKYIGMIRKNIIRPGV
LFFIRSPEDPNIKILHDSLIHPMSIQLSRLCLSMFIYAIFIVLGFGFHTR
IFFPFMLKSNLLSVPEAYKPTSIISWKFNTILLTLYFTKRILESSSYVKP
LLERYWKTIFKLCSRKLRLSSFILGKDTPTERGHIVYRNLFYKYIAAKNA
EWSNQELFTKPKTLEQAEELFGQVRDVHAYFVPDGVLMRVPSSDIVSRNY
VQTMFVPVTKDDKLLKPLDLERIKERNKRAAGEFGYLDEQNTEYDQYYIV
YVPPDFRLRYMTLLGLVWLFASILMLGVTFISQALINFVCSFGFLPVVKL
LLGERNKVYVAWKELSDISYSYLNIYYVCVGSVCLSKIAKDILHFTEGIF
MAIFNSIFDSMLVKYNLMVFIAIMIAVIRTMVSWVVLTDGILACYNYLDE
SLLFVVWIISSMVNFGTGYKSLKLFFRNRNTSKLNFLKTMALELFKQGFL
HMVIYVLPIIILSTRMQDIYFGLLIALESFTFFFQATVLFIQW
Ligand information
Ligand IDY01
InChIInChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
InChIKeyWLNARFZDISHUGS-MIXBDBMTSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(O)=O
OpenEye OEToolkits 1.6.1CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
OpenEye OEToolkits 1.6.1CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C
CACTVS 3.352CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)CCC(O)=O
FormulaC31 H50 O4
NameCHOLESTEROL HEMISUCCINATE
ChEMBL
DrugBank
ZINCZINC000058638837
PDB chain8tqm Chain A Residue 1406 [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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PDB8tqm Substrate-recognition mechanism of the endoplasmic reticulum-associated ubiquitin ligase Doa10
Resolution3.2 Å
Binding residue
(original residue number in PDB)		A635 W679
Binding residue
(residue number reindexed from 1)		A280 W324
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.2.27: RING-type E3 ubiquitin transferase.
Gene Ontology
Molecular Function
GO:0004842 ubiquitin-protein transferase activity
GO:0005515 protein binding
GO:0008270 zinc ion binding
GO:0016740 transferase activity
GO:0046872 metal ion binding
GO:0061630 ubiquitin protein ligase activity
Biological Process
GO:0016567 protein ubiquitination
GO:0030970 retrograde protein transport, ER to cytosol
GO:0036503 ERAD pathway
Cellular Component
GO:0000837 Doa10p ubiquitin ligase complex
GO:0005634 nucleus
GO:0005635 nuclear envelope
GO:0005637 nuclear inner membrane
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8tqm, PDBe:8tqm, PDBj:8tqm
PDBsum8tqm
PubMed38467638
UniProtP40318|DOA10_YEAST ERAD-associated E3 ubiquitin-protein ligase DOA10 (Gene Name=SSM4)

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