Structure of PDB 7fok Chain A Binding Site BS01

Receptor Information
>7fok 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 IDW6H
InChIInChI=1S/C11H13NO3S/c1-12(7-11(14)15-2)10(13)4-3-9-5-6-16-8-9/h3-6,8H,7H2,1-2H3/b4-3+
InChIKeyXQYMSCAMMFMULA-ONEGZZNKSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COC(=O)CN(C)C(=O)/C=C/c1cscc1
ACDLabs 12.01O=C(/C=C/c1ccsc1)N(C)CC(=O)OC
OpenEye OEToolkits 2.0.7CN(CC(=O)OC)C(=O)C=Cc1ccsc1
OpenEye OEToolkits 2.0.7CN(CC(=O)OC)C(=O)/C=C/c1ccsc1
CACTVS 3.385COC(=O)CN(C)C(=O)C=Cc1cscc1
FormulaC11 H13 N O3 S
Namemethyl N-methyl-N-[(2E)-3-(thiophen-3-yl)prop-2-enoyl]glycinate
ChEMBL
DrugBank
ZINC
PDB chain7fok 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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PDB7fok Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution1.72 Å
Binding residue
(original residue number in PDB)		H1888 F1890 L1988 N1990
Binding residue
(residue number reindexed from 1)		H56 F58 L156 N158
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:7fok, PDBe:7fok, PDBj:7fok
PDBsum7fok
PubMed36260741
UniProtP33334|PRP8_YEAST Pre-mRNA-splicing factor 8 (Gene Name=PRP8)

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