PDB Entry (2jgb)

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Visualizer: MichelaNGLo

PDB ID: 2jgb Resolution: 1.7 Å Exp. Method: X-RAY DIFFRACTION
PMID: 17368478 DOI: 10.1016/j.jmb.2007.02.019
Protein
Protein Name: Eukaryotic translation initiation factor 4E type 2
Protein Class: TRANSLATION REGULATOR
Uniprot ID/ACC: O60573 (IF4E2_HUMAN) Organism: Homo sapiens
Gene Symbol: EIF4E2 Gene ID: 9470
Pocket Descriptors
Volume: 501.312 Depth: 15.5795
Hydrophobicity: 0.72 Drug Score: 0.658504
Pocket Similarity: Calculate
Ligand
Ligand Name:   7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE
HET ID:   MGT PubChem:   135486126, 6323407, 5288807
DrugBank:   DB03358 ChEMBL:   CHEMBL1234306
Canonical SMILES:   CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
Standard InChI:   InChI=1S/C11H20N5O14P3/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/h4,6-7,10,17-18H,2-3H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,13,14,19)
Molecular Formula:   C11H20N5O14P3 Mol. Weight:   539.2229 Heavy Atoms:   33
Charge:   0 Is Chiral:   True logP:   -1.933
HBD:   8 HBA:   18 TPSA:   317.19
#Bonds:   35 #Rotatable Bonds:   8 Shape Complexity:   0.6363636
Stereocomplexity:   0.54545456 Ligand Type:   Small Molecule
Binding Affinity
Database Name Value
Binding MOAD Ka : 410000 M^-1