PDB Entry (5wle)

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Visualizer: MichelaNGLo

PDB ID: 5wle Resolution: 1.95 Å Exp. Method: X-RAY DIFFRACTION
PMID: 28919441 DOI: 10.1016/j.str.2017.08.009
Protein
Protein Name: Protein partner of snf, isoform A
Protein Class: TRANSCRIPTION REGULATOR
Uniprot ID/ACC: Q9VG78 (Q9VG78_DROME) Organism: Drosophila melanogaster
Gene Symbol: pps Gene ID: 41524
Pocket Descriptors
Volume: 285.44 Depth: 11.257
Hydrophobicity: 0.647059 Drug Score: 0.493692
Pocket Similarity: Calculate
Ligand
Ligand Name:   N-TRIMETHYLLYSINE
HET ID:   M3L PubChem:   440121, 6992003
DrugBank:   DB03977 ChEMBL:   CHEMBL1234168
Canonical SMILES:   OC(=O)[C@H](CCCC[N+](C)(C)C)N
Standard InChI:   InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1
Molecular Formula:   C9H21N2O2+ Mol. Weight:   189.27524 Heavy Atoms:   13
Charge:   1 Is Chiral:   True logP:   0.9751
HBD:   2 HBA:   3 TPSA:   63.32
#Bonds:   13 #Rotatable Bonds:   6 Shape Complexity:   0.8888889
Stereocomplexity:   0.11111111 Ligand Type:   H3K4me3
Binding Affinity
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