Structure of PDB 7fp2 Chain A Binding Site BS01

Receptor Information
>7fp2 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 IDWDC
InChIInChI=1S/C10H15ClN2O/c1-13(4-5-14)7-8-6-9(12)2-3-10(8)11/h2-3,6,14H,4-5,7,12H2,1H3
InChIKeyIYAVXYPOCJIRMT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN(CCO)Cc1cc(N)ccc1Cl
OpenEye OEToolkits 2.0.7CN(CCO)Cc1cc(ccc1Cl)N
ACDLabs 12.01Clc1ccc(N)cc1CN(C)CCO
FormulaC10 H15 Cl N2 O
Name2-{[(5-amino-2-chlorophenyl)methyl](methyl)amino}ethan-1-ol
ChEMBL
DrugBank
ZINCZINC000037899149
PDB chain7fp2 Chain A Residue 2101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7fp2 Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution1.64 Å
Binding residue
(original residue number in PDB)		H1888 F1890 L1988 N1990
Binding residue
(residue number reindexed from 1)		H56 F58 L156 N158
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0000398 mRNA splicing, via spliceosome
Cellular Component
GO:0005681 spliceosomal complex

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7fp2, PDBe:7fp2, PDBj:7fp2
PDBsum7fp2
PubMed36260741
UniProtP33334|PRP8_YEAST Pre-mRNA-splicing factor 8 (Gene Name=PRP8)

[Back to BioLiP]