PDB Entry (5j5o)

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Visualizer: MichelaNGLo

PDB ID: 5j5o Resolution: 1.87 Å Exp. Method: X-RAY DIFFRACTION
PMID: 28666355 DOI: 10.1093/nar/gkx569
Protein
Protein Name: Eukaryotic translation initiation factor 4E
Protein Class: TRANSLATION REGULATOR
Uniprot ID/ACC: P63073 (IF4E_MOUSE) Organism: Mus musculus
Gene Symbol: Eif4e Gene ID: 13684
Pocket Descriptors
Volume: 186.432 Depth: 16.3606
Hydrophobicity: 0.699115 Drug Score: 0.00786524
Pocket Similarity: Calculate
Ligand
Ligand Name:   5'-O-[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]-7-methylguanosine
HET ID:   6G0 PubChem:   135567169
DrugBank:   - ChEMBL:   -
Canonical SMILES:   O[C@@H]1[C@@H](CO[P@](=O)(O[P@](=O)(O[P@](=O)(OP(=O)(O)O)O)O)O)O[C@H]([C@@H]1O)n1c[n+](c2c1nc(N)[nH]c2=O)C
Standard InChI:   InChI=1S/C11H19N5O17P4/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(30-10)2-29-35(23,24)32-37(27,28)33-36(25,26)31-34(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H7-,12,13,14,19,20,21,22,23,24,25,26,27,28)/p+1/t4-,6-,7-,10-/m1/s1
Molecular Formula:   C11H20N5O17P4+ Mol. Weight:   618.1948 Heavy Atoms:   37
Charge:   1 Is Chiral:   True logP:   -2.208
HBD:   9 HBA:   20 TPSA:   375.86
#Bonds:   44 #Rotatable Bonds:   10 Shape Complexity:   0.54545456
Stereocomplexity:   0.6363636 Ligand Type:   Small Molecule
Binding Affinity
-