PDB Entry (5m7x) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 5m7x | Resolution: 1.68 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: - | DOI: None | |
Protein |
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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: 162.752 | Depth: 16.3839 |
Hydrophobicity: 0.693694 | Drug Score: 0.0178961 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(selanyl)phosphoryl] hydrogen phosphate | ||
HET ID: RSE | PubChem: 135567227 | |
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CO[C@@H]1[C@H](O)[C@H](O[C@H]1n1c[n+](c2c1nc(N)[nH]c2=O)C)CO[P@@](=O)(O[P@@](=O)(OP(=O)(O)O)[SeH])O | ||
Standard InChI: InChI=1S/C12H20N5O13P3Se/c1-16-4-17(9-6(16)10(19)15-12(13)14-9)11-8(26-2)7(18)5(28-11)3-27-32(23,24)30-33(25,34)29-31(20,21)22/h4-5,7-8,11,18H,3H2,1-2H3,(H6-,13,14,15,19,20,21,22,23,24,25,34)/p+1/t5-,7-,8-,11-,33-/m1/s1 | ||
Molecular Formula: C12H21N5O13P3Se+ | Mol. Weight: 615.20215 | Heavy Atoms: 34 |
Charge: 1 | Is Chiral: True | logP: -1.3822 |
HBD: 7 | HBA: 16 | TPSA: 288.29 |
#Bonds: 42 | #Rotatable Bonds: 9 | Shape Complexity: 0.5833333 |
Stereocomplexity: 0.5 | Ligand Type: Small Molecule |
Binding Affinity |
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