Structure of PDB 7fl1 Chain A Binding Site BS02

Receptor Information
>7fl1 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 IDVO9
InChIInChI=1S/C10H13NO2S/c12-6-5-11(8-3-4-8)10(13)9-2-1-7-14-9/h1-2,7-8,12H,3-6H2
InChIKeySOFDWZUMJONKNV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(sc1)C(=O)N(CCO)C2CC2
ACDLabs 12.01O=C(N(CCO)C1CC1)c1cccs1
CACTVS 3.385OCCN(C1CC1)C(=O)c2sccc2
FormulaC10 H13 N O2 S
NameN-cyclopropyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
ChEMBL
DrugBank
ZINCZINC000036129980
PDB chain7fl1 Chain A Residue 2102 [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]
PDB7fl1 Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		S2006 R2056
Binding residue
(residue number reindexed from 1)		S174 R224
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:7fl1, PDBe:7fl1, PDBj:7fl1
PDBsum7fl1
PubMed36260741
UniProtP33334|PRP8_YEAST Pre-mRNA-splicing factor 8 (Gene Name=PRP8)

[Back to BioLiP]