PDB Entry (5qya)

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Visualizer: MichelaNGLo

PDB ID: 5qya Resolution: 1.55 Å Exp. Method: X-RAY DIFFRACTION
PMID: 32413289 DOI: 10.1016/j.str.2020.04.019
Protein
Protein Name: Pre-mRNA-splicing factor 8
Protein Class: TRANSCRIPTION REGULATOR
Uniprot ID/ACC: P33334 (PRP8_YEAST) Organism: Saccharomyces cerevisia
Gene Symbol: - Gene ID: 856570
Pocket Descriptors
Volume: 284.096 Depth: 24.2032
Hydrophobicity: 0.75 Drug Score: 0.0234035
Pocket Similarity: Calculate
Ligand
Ligand Name:   ~{N}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide
HET ID:   SY4 PubChem:   43550982
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CCCS(=O)(=O)Nc1cc(N)c(cc1F)F
Standard InChI:   InChI=1S/C9H12F2N2O2S/c1-2-3-16(14,15)13-9-5-8(12)6(10)4-7(9)11/h4-5,13H,2-3,12H2,1H3
Molecular Formula:   C9H12F2N2O2S Mol. Weight:   250.26558 Heavy Atoms:   16
Charge:   0 Is Chiral:   False logP:   3.4337
HBD:   2 HBA:   4 TPSA:   80.57
#Bonds:   16 #Rotatable Bonds:   4 Shape Complexity:   0.33333334
Stereocomplexity:   0.0 Ligand Type:   Small Molecule
Binding Affinity
-