Structure of PDB 5qya Chain A Binding Site BS01

Receptor Information
>5qya Chain A (length=254) 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
TIKSYHLWPSFTDEQWITIESQMRDLILTEYGRKYNVNISALTQTEIKDI
ILGQ
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 chain5qya 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5qya F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		H1888 L1889 F1890 L1988 F1989
Binding residue
(residue number reindexed from 1)		H56 L57 F58 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

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5qya, PDBe:5qya, PDBj:5qya
PDBsum5qya
PubMed32413289
UniProtP33334|PRP8_YEAST Pre-mRNA-splicing factor 8 (Gene Name=PRP8)

[Back to BioLiP]