PDB Entry (6snd)

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Visualizer: MichelaNGLo

PDB ID: 6snd Resolution: 3.1 Å Exp. Method: X-RAY DIFFRACTION
PMID: 31653484 DOI: 10.1016/j.chom.2019.09.016
Protein
Protein Name: LN01 light chain
Protein Class: ANTIBODY
Uniprot ID/ACC: - Organism: Homo sapiens
Gene Symbol: - Gene ID: -
Pocket Descriptors
Volume: 383.744 Depth: 29.7047
Hydrophobicity: 0.670139 Drug Score: 0.0190969
Pocket Similarity: Calculate
Ligand
Ligand Name:   dodecyl 2-(trimethylammonio)ethyl phosphate
HET ID:   DPV PubChem:   644308
DrugBank:   - ChEMBL:   CHEMBL229565
Canonical SMILES:   CCCCCCCCCCCCOP(=O)(OCC[N+](C)(C)C)[O-]
Standard InChI:   InChI=1S/C17H38NO4P/c1-5-6-7-8-9-10-11-12-13-14-16-21-23(19,20)22-17-15-18(2,3)4/h5-17H2,1-4H3
Molecular Formula:   C17H38NO4P Mol. Weight:   351.46167 Heavy Atoms:   23
Charge:   0 Is Chiral:   False logP:   5.1853
HBD:   0 HBA:   4 TPSA:   68.4
#Bonds:   22 #Rotatable Bonds:   16 Shape Complexity:   1.0
Stereocomplexity:   0.05882353 Ligand Type:   Small Molecule
Binding Affinity
-