PDB Entry (5t48)

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Visualizer: MichelaNGLo

PDB ID: 5t48 Resolution: 2.19 Å Exp. Method: X-RAY DIFFRACTION
PMID: 27773676 DOI: 10.1016/j.molcel.2016.09.020
Protein
Protein Name: Eukaryotic translation initiation factor 4E1
Protein Class: TRANSLATION REGULATOR
Uniprot ID/ACC: P48598 (IF4E_DROME) Organism: Drosophila melanogaster
Gene Symbol: eIF4E1 Gene ID: 45525
Pocket Descriptors
Volume: 315.456 Depth: 9.80612
Hydrophobicity: 0.671053 Drug Score: 0.619262
Pocket Similarity: Calculate
Ligand
Ligand Name:   7-METHYL-GUANOSINE-5'-TRIPHOSPHATE
HET ID:   MGP PubChem:   135419182
DrugBank:   DB02716 ChEMBL:   CHEMBL1234303
Canonical SMILES:   O[C@@H]1[C@@H](CO[P@](=O)(O[P@](=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1c[n+](c2c1nc(N)[nH]c2=O)C
Standard InChI:   InChI=1S/C11H18N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,26)/p+1/t4-,6-,7-,10-/m1/s1
Molecular Formula:   C11H19N5O14P3+ Mol. Weight:   538.21497 Heavy Atoms:   33
Charge:   1 Is Chiral:   True logP:   -2.325
HBD:   8 HBA:   17 TPSA:   319.52
#Bonds:   40 #Rotatable Bonds:   8 Shape Complexity:   0.54545456
Stereocomplexity:   0.54545456 Ligand Type:   Small Molecule
Binding Affinity
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