Structure of PDB 7fll Chain A Binding Site BS01

Receptor Information

>7fll Chain A (length=237) Species: 559292 (Saccharomyces cerevisiae S288C)

GAMNSSNYAELFNNDIKLFVDDTNVYRVTVHKTFEGNVATKAINGCIFTL
NPKTGHLFLKIIHTSVWAGQKRLSQLAKWKTAEEVSALVRSLPKEEQPKQ
IIVTRKAMLDPLEVHMLDFPNIAIRPTELRLPFSAAMSIDKLSDVVMKAT
EPQMVLFNIYDDWLDRISSYTAFSRLTLLLRALKTNEESAKMILLSDPTI
TIKSYHLWPSFTDEQWITIESQMRDLILTEYGRKYNV

Ligand information

• Ligand ID: VLI
• InChI: InChI=1S/C10H8F3NO2/c1-5-2-3-6-7(4-5)14-8(15)9(6,16)10(11,12)13/h2-4,16H,1H3,(H,14,15)/t9-/m0/s1
• InChIKey: FIEVIPASBRMCMZ-VIFPVBQESA-N
• SMILES:
  CACTVS 3.385: Cc1ccc2c(NC(=O)[C]2(O)C(F)(F)F)c1
  OpenEye OEToolkits 2.0.7: Cc1ccc2c(c1)NC(=O)[C@@]2(C(F)(F)F)O
  CACTVS 3.385: Cc1ccc2c(NC(=O)[C@]2(O)C(F)(F)F)c1
  OpenEye OEToolkits 2.0.7: Cc1ccc2c(c1)NC(=O)C2(C(F)(F)F)O
  ACDLabs 12.01: FC(F)(F)C1(O)c2ccc(C)cc2NC1=O
• Formula: C10 H8 F3 N O2
• Name: (3S)-3-hydroxy-6-methyl-3-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one
• ZINC: ZINC000002052714
• PDB chain: 7fll Chain A Residue 2101

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7fll Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
• Resolution: 1.48 Å
• Binding residue (original residue number in PDB): Y2002 S2006 R2056
• Binding residue (residue number reindexed from 1): Y170 S174 R224
• Annotation score: 1

Gene Ontology

Biological Process

• GO:0000398 mRNA splicing, via spliceosome

Cellular Component

• GO:0005681 spliceosomal complex

External links

• PDB: RCSB:7fll, PDBe:7fll, PDBj:7fll
• PDBsum: 7fll
• PubMed: 36260741
• UniProt: P33334|PRP8_YEAST Pre-mRNA-splicing factor 8 (Gene Name=PRP8)