Structure of PDB 5stq Chain A Binding Site BS01

Receptor Information
>5stq 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 IDVP0
InChIInChI=1S/C13H15NO3/c1-9(15)14-7-6-10-4-2-3-5-11(10)12(14)8-13(16)17/h2-5,12H,6-8H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyQZBDYCNMWXWQNV-LBPRGKRZSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)N1CCc2ccccc2[CH]1CC(O)=O
OpenEye OEToolkits 2.0.7CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)O
OpenEye OEToolkits 2.0.7CC(=O)N1CCc2ccccc2C1CC(=O)O
CACTVS 3.385CC(=O)N1CCc2ccccc2[C@@H]1CC(O)=O
ACDLabs 12.01O=C(O)CC1c2ccccc2CCN1C(C)=O
FormulaC13 H15 N O3
Name[(1S)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid
ChEMBL
DrugBank
ZINCZINC000000064906
PDB chain5stq 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]
PDB5stq Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		N1883 F1890 L1924 E1928
Binding residue
(residue number reindexed from 1)		N51 F58 L92 E96
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:5stq, PDBe:5stq, PDBj:5stq
PDBsum5stq
PubMed36260741
UniProtP33334|PRP8_YEAST Pre-mRNA-splicing factor 8 (Gene Name=PRP8)

[Back to BioLiP]