Structure of PDB 7fp1 Chain A Binding Site BS02

Receptor Information
>7fp1 Chain A (length=253) 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
ILG
Ligand information
Ligand IDWD8
InChIInChI=1S/C11H15NO3S/c1-8(2)12(6-10(13)15-3)11(14)9-4-5-16-7-9/h4-5,7-8H,6H2,1-3H3
InChIKeyAEHZWZVCFANNEB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(N(CC(=O)OC)C(C)C)c1ccsc1
CACTVS 3.385COC(=O)CN(C(C)C)C(=O)c1cscc1
OpenEye OEToolkits 2.0.7CC(C)N(CC(=O)OC)C(=O)c1ccsc1
FormulaC11 H15 N O3 S
Namemethyl N-(propan-2-yl)-N-(thiophene-3-carbonyl)glycinate
ChEMBL
DrugBank
ZINCZINC000047951765
PDB chain7fp1 Chain A Residue 2102 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7fp1 Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution1.43 Å
Binding residue
(original residue number in PDB)		Y1840 F1844 Y2002 S2006 T2009 L2010
Binding residue
(residue number reindexed from 1)		Y8 F12 Y170 S174 T177 L178
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:7fp1, PDBe:7fp1, PDBj:7fp1
PDBsum7fp1
PubMed36260741
UniProtP33334|PRP8_YEAST Pre-mRNA-splicing factor 8 (Gene Name=PRP8)

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