Structure of PDB 7fkk Chain A Binding Site BS01

Receptor Information
>7fkk 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 IDWBB
InChIInChI=1S/C10H13NO2/c1-8-5-3-4-6-9(8)7-10(12)11-13-2/h3-6H,7H2,1-2H3,(H,11,12)
InChIKeyMUOXRMCJWFCWQP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CONC(=O)Cc1ccccc1C
OpenEye OEToolkits 2.0.7Cc1ccccc1CC(=O)NOC
ACDLabs 12.01O=C(Cc1ccccc1C)NOC
FormulaC10 H13 N O2
NameN-methoxy-2-(2-methylphenyl)acetamide
ChEMBL
DrugBank
ZINCZINC000040017415
PDB chain7fkk 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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PDB7fkk Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution1.63 Å
Binding residue
(original residue number in PDB)		H1888 F1890
Binding residue
(residue number reindexed from 1)		H56 F58
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:7fkk, PDBe:7fkk, PDBj:7fkk
PDBsum7fkk
PubMed36260741
UniProtP33334|PRP8_YEAST Pre-mRNA-splicing factor 8 (Gene Name=PRP8)

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