Structure of PDB 7fl1 Chain A Binding Site BS01

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 2101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		R1962 T2017 Y2063 K2066 Y2067
Binding residue
(residue number reindexed from 1)		R130 T185 Y231 K234 Y235
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:7fl1, PDBe:7fl1, PDBj:7fl1
PDBsum7fl1
PubMed36260741
UniProtP33334|PRP8_YEAST Pre-mRNA-splicing factor 8 (Gene Name=PRP8)

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