Structure of PDB 7fo4 Chain A Binding Site BS01

Receptor Information
>7fo4 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 IDVWC
InChIInChI=1S/C11H16N2O2/c1-8(2)7-15-10-5-3-9(4-6-10)11(14)13-12/h3-6,8H,7,12H2,1-2H3,(H,13,14)
InChIKeyBMAFPTCNYPHNMO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01NNC(=O)c1ccc(OCC(C)C)cc1
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(C)COc1ccc(cc1)C(=O)NN
FormulaC11 H16 N2 O2
Name4-(2-methylpropoxy)benzohydrazide
ChEMBL
DrugBank
ZINCZINC000002565564
PDB chain7fo4 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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PDB7fo4 Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution1.53 Å
Binding residue
(original residue number in PDB)		L1961 P1964 T2009 R2013
Binding residue
(residue number reindexed from 1)		L129 P132 T177 R181
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:7fo4, PDBe:7fo4, PDBj:7fo4
PDBsum7fo4
PubMed36260741
UniProtP33334|PRP8_YEAST Pre-mRNA-splicing factor 8 (Gene Name=PRP8)

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