PDB Entry (5m7x)

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PDB ID: 5m7x Resolution: 1.68 Å Exp. Method: X-RAY DIFFRACTION
PMID: - DOI: None
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: 162.752 Depth: 16.3839
Hydrophobicity: 0.693694 Drug Score: 0.0178961
Pocket Similarity: Calculate
Ligand
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
-