PDB Entry (5t48) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 5t48 | Resolution: 2.19 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 27773676 | DOI: 10.1016/j.molcel.2016.09.020 | |
Protein |
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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 |
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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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