Structure of PDB 5r0e Chain A Binding Site BS01

Receptor Information
>5r0e 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 IDSY4
InChIInChI=1S/C9H12F2N2O2S/c1-2-3-16(14,15)13-9-5-8(12)6(10)4-7(9)11/h4-5,13H,2-3,12H2,1H3
InChIKeyKLZYLFPBFHWHBO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCS(=O)(=O)Nc1cc(c(cc1F)F)N
CACTVS 3.385CCC[S](=O)(=O)Nc1cc(N)c(F)cc1F
FormulaC9 H12 F2 N2 O2 S
Name~{N}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide
ChEMBLCHEMBL4920863
DrugBank
ZINCZINC000036743499
PDB chain5r0e Chain A Residue 2501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5r0e F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Resolution1.59 Å
Binding residue
(original residue number in PDB)		H1888 L1988 F1989
Binding residue
(residue number reindexed from 1)		H56 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:5r0e, PDBe:5r0e, PDBj:5r0e
PDBsum5r0e
PubMed32413289
UniProtP33334|PRP8_YEAST Pre-mRNA-splicing factor 8 (Gene Name=PRP8)

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