Structure of PDB 7fl3 Chain A Binding Site BS01

Receptor Information
>7fl3 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 IDUZ8
InChIInChI=1S/C11H14N2OS/c1-15-10-9(5-4-6-12-10)11(14)13-7-2-3-8-13/h4-6H,2-3,7-8H2,1H3
InChIKeyNVMKKNCLFDOZEG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(c1cccnc1SC)N1CCCC1
OpenEye OEToolkits 2.0.7CSc1c(cccn1)C(=O)N2CCCC2
CACTVS 3.385CSc1ncccc1C(=O)N2CCCC2
FormulaC11 H14 N2 O S
Name[2-(methylsulfanyl)pyridin-3-yl](pyrrolidin-1-yl)methanone
ChEMBL
DrugBank
ZINC
PDB chain7fl3 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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PDB7fl3 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 L1924 E1928 L1988 F1989
Binding residue
(residue number reindexed from 1)		H56 F58 L92 E96 L156 F157
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:7fl3, PDBe:7fl3, PDBj:7fl3
PDBsum7fl3
PubMed36260741
UniProtP33334|PRP8_YEAST Pre-mRNA-splicing factor 8 (Gene Name=PRP8)

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