Structure of PDB 5stx Chain B Binding Site BS01

Receptor Information
>5stx 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 IDV92
InChIInChI=1S/C10H6N2O2/c11-5-7-9(13)6-3-1-2-4-8(6)12-10(7)14/h1-4H,(H2,12,13,14)
InChIKeyCRRUFISVDCIBAP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC1=C(C#N)C(=O)Nc2ccccc12
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C(=C(C(=O)N2)C#N)O
ACDLabs 12.01OC=1c2ccccc2NC(=O)C=1C#N
FormulaC10 H6 N2 O2
Name4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonitrile
ChEMBLCHEMBL1975609
DrugBank
ZINCZINC000005974905
PDB chain5stx 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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PDB5stx Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		T7 Y68 Q70 K88
Binding residue
(residue number reindexed from 1)		T7 Y68 Q70 K88
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5stx, PDBe:5stx, PDBj:5stx
PDBsum5stx
PubMed36260741
UniProtP32357|AAR2_YEAST A1 cistron-splicing factor AAR2 (Gene Name=AAR2)

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