Structure of PDB 7fmg Chain A Binding Site BS01

Receptor Information
>7fmg 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 IDVV5
InChIInChI=1S/C12H12N2OS/c15-12(10-3-1-6-13-9-10)14-7-5-11-4-2-8-16-11/h1-4,6,8-9H,5,7H2,(H,14,15)
InChIKeyVMWNPRLDFTXJRJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cnc1)C(=O)NCCc2cccs2
ACDLabs 12.01O=C(NCCc1cccs1)c1cccnc1
CACTVS 3.385O=C(NCCc1sccc1)c2cccnc2
FormulaC12 H12 N2 O S
NameN-[2-(thiophen-2-yl)ethyl]pyridine-3-carboxamide
ChEMBLCHEMBL4929846
DrugBank
ZINCZINC000013010505
PDB chain7fmg Chain A Residue 2101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7fmg Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution1.71 Å
Binding residue
(original residue number in PDB)		H1888 F1890 L1988 F1989
Binding residue
(residue number reindexed from 1)		H56 F58 L156 F157
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:7fmg, PDBe:7fmg, PDBj:7fmg
PDBsum7fmg
PubMed36260741
UniProtP33334|PRP8_YEAST Pre-mRNA-splicing factor 8 (Gene Name=PRP8)

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