PDB Entry (5r0i)

Download

Visualizer: MichelaNGLo
PDB ID: 5r0i Resolution: 1.86 Å Exp. Method: X-RAY DIFFRACTION
PMID: 32413289 DOI: 10.1016/j.str.2020.04.019
Protein
Protein Name: A1 cistron-splicing factor AAR2
Protein Class: TRANSCRIPTION REGULATOR
Uniprot ID/ACC: P32357 (AAR2_YEAST) Organism: Saccharomyces cerevisiae
Gene Symbol: - Gene ID: 852205
Pocket Descriptors
Volume: 303.616 Depth: 24.1038
Hydrophobicity: 0.732955 Drug Score: 0.0189356
Pocket Similarity: Calculate
Ligand
Ligand Name:   6-azanyl-3-methyl-1,3-benzoxazol-2-one
HET ID:   SYV PubChem:   6486006
DrugBank:   - ChEMBL:   -
Canonical SMILES:   Nc1ccc2c(c1)oc(=O)n2C
Standard InChI:   InChI=1S/C8H8N2O2/c1-10-6-3-2-5(9)4-7(6)12-8(10)11/h2-4H,9H2,1H3
Molecular Formula:   C8H8N2O2 Mol. Weight:   164.16132 Heavy Atoms:   12
Charge:   0 Is Chiral:   False logP:   1.2949
HBD:   1 HBA:   4 TPSA:   61.16
#Bonds:   13 #Rotatable Bonds:   0 Shape Complexity:   0.125
Stereocomplexity:   0.0 Ligand Type:   Small Molecule
Binding Affinity
-