Structure of PDB 7fla Chain A Binding Site BS01

Receptor Information
>7fla 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 IDVJY
InChIInChI=1S/C9H11NO2S/c1-6(11)9-4-3-8(13-9)5-10-7(2)12/h3-4H,5H2,1-2H3,(H,10,12)
InChIKeyUDCCRNVIUZAEHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)NCc1sc(cc1)C(C)=O
OpenEye OEToolkits 2.0.7CC(=O)c1ccc(s1)CNC(=O)C
ACDLabs 12.01O=C(C)NCc1ccc(s1)C(C)=O
FormulaC9 H11 N O2 S
NameN-[(5-acetylthiophen-2-yl)methyl]acetamide
ChEMBLCHEMBL4586401
DrugBank
ZINCZINC000004218925
PDB chain7fla Chain A Residue 2101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7fla Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution1.87 Å
Binding residue
(original residue number in PDB)		I1848 H1888 L1924 E1928 L1988
Binding residue
(residue number reindexed from 1)		I16 H56 L92 E96 L156
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:7fla, PDBe:7fla, PDBj:7fla
PDBsum7fla
PubMed36260741
UniProtP33334|PRP8_YEAST Pre-mRNA-splicing factor 8 (Gene Name=PRP8)

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