Structure of PDB 7flk Chain A Binding Site BS01

Receptor Information
>7flk 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 IDVKX
InChIInChI=1S/C13H16N2O/c16-12-7-8-13(11-5-2-1-3-6-11)14-9-4-10-15(12)13/h1-3,5-6,14H,4,7-10H2/t13-/m0/s1
InChIKeyVXKUXARBYXJFRT-ZDUSSCGKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)C23CCC(=O)N2CCCN3
CACTVS 3.385O=C1CC[C]2(NCCCN12)c3ccccc3
CACTVS 3.385O=C1CC[C@@]2(NCCCN12)c3ccccc3
ACDLabs 12.01O=C1CCC2(NCCCN12)c1ccccc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)[C@]23CCC(=O)N2CCCN3
FormulaC13 H16 N2 O
Name(5R,8aS)-8a-phenylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one
ChEMBL
DrugBank
ZINCZINC000019947314
PDB chain7flk 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

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PDB7flk Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution1.62 Å
Binding residue
(original residue number in PDB)		H1888 F1890
Binding residue
(residue number reindexed from 1)		H56 F58
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:7flk, PDBe:7flk, PDBj:7flk
PDBsum7flk
PubMed36260741
UniProtP33334|PRP8_YEAST Pre-mRNA-splicing factor 8 (Gene Name=PRP8)

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