Structure of PDB 7fpb Chain A Binding Site BS01

Receptor Information
>7fpb 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 IDW4L
InChIInChI=1S/C12H18ClN3O/c1-3-14-12(17)9-16(4-2)8-10-5-6-11(13)15-7-10/h5-7H,3-4,8-9H2,1-2H3,(H,14,17)
InChIKeyCNDPRGRRGUUQLK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCNC(=O)CN(CC)Cc1ccc(nc1)Cl
CACTVS 3.385CCNC(=O)CN(CC)Cc1ccc(Cl)nc1
ACDLabs 12.01Clc1ccc(CN(CC)CC(=O)NCC)cn1
FormulaC12 H18 Cl N3 O
NameN~2~-[(6-chloropyridin-3-yl)methyl]-N,N~2~-diethylglycinamide
ChEMBL
DrugBank
ZINCZINC000042369005
PDB chain7fpb 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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PDB7fpb Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution2.02 Å
Binding residue
(original residue number in PDB)		L1850 N1883 H1888 F1890
Binding residue
(residue number reindexed from 1)		L18 N51 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:7fpb, PDBe:7fpb, PDBj:7fpb
PDBsum7fpb
PubMed36260741
UniProtP33334|PRP8_YEAST Pre-mRNA-splicing factor 8 (Gene Name=PRP8)

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