Structure of PDB 5su3 Chain B Binding Site BS01

Receptor Information
>5su3 Chain B (length=300) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNTVPFTSAPIEVTIGIDQYSFNVKENQPFHGIKDIPIGHVHVIHFQHAD
NSSMRYGYWFDCRMGNFYIQYDPKDGLYKMMEERDGAKFENIVHNFKERQ
MMVSYPKIDEDDTWYNLTEFVQMDKIRKIVRKDENQFSYVDSSMTTVQEN
ELSDPAHSLNYTVINFKSREAIRPGHEMEDFLDKSYYLNTVMLQGIFKNS
SNYFGELQFAFLNAMFFGNYGSSLQWHAMIELICSSATVPKHMLDKLDEI
LYYQIKTLPEQYSDILLNERVWNICLYSSFQKNSLHNTEKIMENKYPELL
Ligand information
Ligand IDW8B
InChIInChI=1S/C8H10ClN3O2/c9-7-6(5-10-11-8(7)13)12-1-3-14-4-2-12/h5H,1-4H2,(H,11,13)
InChIKeyNXBBUGQZWHZSPQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385ClC1=C(C=NNC1=O)N2CCOCC2
OpenEye OEToolkits 2.0.7C1COCCN1C2=C(C(=O)NN=C2)Cl
ACDLabs 12.01ClC1=C(C=NNC1=O)N1CCOCC1
FormulaC8 H10 Cl N3 O2
Name4-chloro-5-(morpholin-4-yl)pyridazin-3(2H)-one
ChEMBL
DrugBank
ZINCZINC000008622318
PDB chain5su3 Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5su3 Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		T7 Y68 E83 F89 I92 F96
Binding residue
(residue number reindexed from 1)		T7 Y68 E83 F89 I92 F96
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5su3, PDBe:5su3, PDBj:5su3
PDBsum5su3
PubMed36260741
UniProtP32357|AAR2_YEAST A1 cistron-splicing factor AAR2 (Gene Name=AAR2)

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