Structure of PDB 5sug Chain A Binding Site BS01

Receptor Information
>5sug Chain A (length=237) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAMNSSNYAELFNNDIKLFVDDTNVYRVTVHKTFEGNVATKAINGCIFTL
NPKTGHLFLKIIHTSVWAGQKRLSQLAKWKTAEEVSALVRSLPKEEQPKQ
IIVTRKAMLDPLEVHMLDFPNIAIRPTELRLPFSAAMSIDKLSDVVMKAT
EPQMVLFNIYDDWLDRISSYTAFSRLTLLLRALKTNEESAKMILLSDPTI
TIKSYHLWPSFTDEQWITIESQMRDLILTEYGRKYNV
Ligand information
Ligand IDW1E
InChIInChI=1S/C10H16O4S/c1-8(2)6-14-10(11)5-9-3-4-15(12,13)7-9/h3-4,8-9H,5-7H2,1-2H3/t9-/m0/s1
InChIKeyRZUKZKGHEDZMNQ-VIFPVBQESA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(C)COC(=O)C[CH]1C[S](=O)(=O)C=C1
ACDLabs 12.01O=S1(=O)C=CC(CC(=O)OCC(C)C)C1
CACTVS 3.385CC(C)COC(=O)C[C@H]1C[S](=O)(=O)C=C1
OpenEye OEToolkits 2.0.7CC(C)COC(=O)CC1CS(=O)(=O)C=C1
OpenEye OEToolkits 2.0.7CC(C)COC(=O)C[C@H]1CS(=O)(=O)C=C1
FormulaC10 H16 O4 S
Name2-methylpropyl [(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]acetate
ChEMBL
DrugBank
ZINCZINC000058465777
PDB chain5sug Chain A Residue 2101 [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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PDB5sug Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution1.53 Å
Binding residue
(original residue number in PDB)		H1888 F1890 L1988 F1989 N1990
Binding residue
(residue number reindexed from 1)		H56 F58 L156 F157 N158
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0000398 mRNA splicing, via spliceosome
Cellular Component
GO:0005681 spliceosomal complex

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Biological Process
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Cellular Component
External links
PDB RCSB:5sug, PDBe:5sug, PDBj:5sug
PDBsum5sug
PubMed36260741
UniProtP33334|PRP8_YEAST Pre-mRNA-splicing factor 8 (Gene Name=PRP8)

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