Structure of PDB 7fo6 Chain A Binding Site BS01

Receptor Information
>7fo6 Chain A (length=255) 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
TIKSYHLWPSFTDEQWITIESQMRDLILTEYGRKYNVNISALTQTEIKDI
ILGQN
Ligand information
Ligand IDWCB
InChIInChI=1S/C11H15NO2S/c1-9-7-12(3-4-14-9)11(13)6-10-2-5-15-8-10/h2,5,8-9H,3-4,6-7H2,1H3/t9-/m0/s1
InChIKeyDTRKXTDJYFGDLN-VIFPVBQESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@H]1CN(CCO1)C(=O)Cc2ccsc2
CACTVS 3.385C[C@H]1CN(CCO1)C(=O)Cc2cscc2
ACDLabs 12.01O=C(Cc1ccsc1)N1CC(C)OCC1
OpenEye OEToolkits 2.0.7CC1CN(CCO1)C(=O)Cc2ccsc2
CACTVS 3.385C[CH]1CN(CCO1)C(=O)Cc2cscc2
FormulaC11 H15 N O2 S
Name1-[(2S)-2-methylmorpholin-4-yl]-2-(thiophen-3-yl)ethan-1-one
ChEMBL
DrugBank
ZINC
PDB chain7fo6 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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PDB7fo6 Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution1.57 Å
Binding residue
(original residue number in PDB)		Y1840 F1844 Y2002 F2005 S2006 T2009 L2010 I2083 N2087
Binding residue
(residue number reindexed from 1)		Y8 F12 Y170 F173 S174 T177 L178 I251 N255
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:7fo6, PDBe:7fo6, PDBj:7fo6
PDBsum7fo6
PubMed36260741
UniProtP33334|PRP8_YEAST Pre-mRNA-splicing factor 8 (Gene Name=PRP8)

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