Structure of PDB 7foy Chain A Binding Site BS01
Receptor Information
>7foy Chain A (length=237) Species:
559292
(Saccharomyces cerevisiae S288C) [
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GAMNSSNYAELFNNDIKLFVDDTNVYRVTVHKTFEGNVATKAINGCIFTL
NPKTGHLFLKIIHTSVWAGQKRLSQLAKWKTAEEVSALVRSLPKEEQPKQ
IIVTRKAMLDPLEVHMLDFPNIAIRPTELRLPFSAAMSIDKLSDVVMKAT
EPQMVLFNIYDDWLDRISSYTAFSRLTLLLRALKTNEESAKMILLSDPTI
TIKSYHLWPSFTDEQWITIESQMRDLILTEYGRKYNV
Ligand information
Ligand ID
W5C
InChI
InChI=1S/C11H11N3OS/c1-14-8-12-13-11(14)16-7-10(15)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKey
MQPQQMUJJODTTJ-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7
Cn1cnnc1SCC(=O)c2ccccc2
ACDLabs 12.01
Cn1cnnc1SCC(=O)c1ccccc1
Formula
C11 H11 N3 O S
Name
2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethan-1-one
ChEMBL
DrugBank
ZINC
ZINC000000273623
PDB chain
7foy Chain A Residue 2101 [
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Receptor-Ligand Complex Structure
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PDB
7foy
Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution
1.55 Å
Binding residue
(original residue number in PDB)
H1888 F1890 L1988 F1989
Binding residue
(residue number reindexed from 1)
H56 F58 L156 F157
Annotation score
1
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:7foy
,
PDBe:7foy
,
PDBj:7foy
PDBsum
7foy
PubMed
36260741
UniProt
P33334
|PRP8_YEAST Pre-mRNA-splicing factor 8 (Gene Name=PRP8)
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