Structure of PDB 5su6 Chain A Binding Site BS01

Receptor Information
>5su6 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 IDW98
InChIInChI=1S/C9H13NO2S2/c1-14(11,12)10(8-4-5-8)7-9-3-2-6-13-9/h2-3,6,8H,4-5,7H2,1H3
InChIKeyNMSMYGVMMBHOAS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=S(C)(=O)N(Cc1cccs1)C1CC1
OpenEye OEToolkits 2.0.7CS(=O)(=O)N(Cc1cccs1)C2CC2
CACTVS 3.385C[S](=O)(=O)N(Cc1sccc1)C2CC2
FormulaC9 H13 N O2 S2
NameN-cyclopropyl-N-[(thiophen-2-yl)methyl]methanesulfonamide
ChEMBL
DrugBank
ZINC
PDB chain5su6 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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PDB5su6 Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution1.51 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:5su6, PDBe:5su6, PDBj:5su6
PDBsum5su6
PubMed36260741
UniProtP33334|PRP8_YEAST Pre-mRNA-splicing factor 8 (Gene Name=PRP8)

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