PDB Entry (6snc)

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Visualizer: MichelaNGLo
PDB ID: 6snc Resolution: 3.2 Å Exp. Method: X-RAY DIFFRACTION
PMID: 31653484 DOI: 10.1016/j.chom.2019.09.016
Protein
Protein Name: Envelope glycoprotein gp160
Protein Class: VIRAL PROTEIN
Uniprot ID/ACC: - Organism: Human immunodeficiency virus type 1 group M subtype B
Gene Symbol: - Gene ID: -
Pocket Descriptors
Volume: 643.392 Depth: 43.4796
Hydrophobicity: 0.666667 Drug Score: 0.30455
Pocket Similarity: Calculate
Ligand
Ligand Name:   PHOSPHOCHOLINE
HET ID:   PC PubChem:   1014
DrugBank:   DB03945 ChEMBL:   CHEMBL1235161
Canonical SMILES:   OP(=O)(OCC[N+](C)(C)C)O
Standard InChI:   InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1
Molecular Formula:   C5H15NO4P+ Mol. Weight:   184.15067 Heavy Atoms:   11
Charge:   1 Is Chiral:   False logP:   -0.1981
HBD:   2 HBA:   4 TPSA:   76.57
#Bonds:   10 #Rotatable Bonds:   4 Shape Complexity:   1.0
Stereocomplexity:   0.0 Ligand Type:   Small Molecule
Binding Affinity
-