Structure of PDB 5su5 Chain B Binding Site BS01

Receptor Information
>5su5 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 IDW8W
InChIInChI=1S/C5H5BrN2O2/c1-8-2-3(6)4(9)7-5(8)10/h2H,1H3,(H,7,9,10)
InChIKeyPIVKLKRNXWUHSD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN1C=C(Br)C(=O)NC1=O
ACDLabs 12.01O=C1NC(=O)N(C)C=C1Br
OpenEye OEToolkits 2.0.7CN1C=C(C(=O)NC1=O)Br
FormulaC5 H5 Br N2 O2
Name5-bromo-1-methylpyrimidine-2,4(1H,3H)-dione
ChEMBL
DrugBank
ZINCZINC000000343307
PDB chain5su5 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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PDB5su5 Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution1.81 Å
Binding residue
(original residue number in PDB)		P5 T7 Y68 E83 K88
Binding residue
(residue number reindexed from 1)		P5 T7 Y68 E83 K88
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5su5, PDBe:5su5, PDBj:5su5
PDBsum5su5
PubMed36260741
UniProtP32357|AAR2_YEAST A1 cistron-splicing factor AAR2 (Gene Name=AAR2)

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