Structure of PDB 5str Chain B Binding Site BS01

Receptor Information
>5str 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 IDVNU
InChIInChI=1S/C12H16N2O/c13-9-11(15)14-12(7-4-8-12)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,13H2,(H,14,15)
InChIKeyNFWJLHQGYPHNHW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)C2(CCC2)NC(=O)CN
ACDLabs 12.01O=C(NC1(CCC1)c1ccccc1)CN
CACTVS 3.385NCC(=O)NC1(CCC1)c2ccccc2
FormulaC12 H16 N2 O
NameN-(1-phenylcyclobutyl)glycinamide
ChEMBL
DrugBank
ZINC
PDB chain5str 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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PDB5str Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		G235 Y237 I282 L283
Binding residue
(residue number reindexed from 1)		G218 Y220 I265 L266
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5str, PDBe:5str, PDBj:5str
PDBsum5str
PubMed36260741
UniProtP32357|AAR2_YEAST A1 cistron-splicing factor AAR2 (Gene Name=AAR2)

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