PDB Entry (2idv)

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Visualizer: MichelaNGLo

PDB ID: 2idv Resolution: 2.3 Å Exp. Method: X-RAY DIFFRACTION
PMID: 17322339 DOI: 10.1104/pp.106.093146
Protein
Protein Name: Eukaryotic translation initiation factor 4E-1
Protein Class: TRANSLATION REGULATOR
Uniprot ID/ACC: P29557 (IF4E1_WHEAT) Organism: Triticum aestivum
Gene Symbol: - Gene ID: -
Pocket Descriptors
Volume: 597.568 Depth: 15.8896
Hydrophobicity: 0.682353 Drug Score: 0.437979
Pocket Similarity: Calculate
Ligand
Ligand Name:   7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE
HET ID:   M7G PubChem:   135509116, 147071, 5288722
DrugBank:   DB01960 ChEMBL:   CHEMBL1234183
Canonical SMILES:   O[C@@H]1[C@@H](CO[P@@](=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)N1CN(c2c1nc(N)[nH]c2=O)C
Standard InChI:   InChI=1S/C11H19N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H,23,24)(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7-,10-/m1/s1
Molecular Formula:   C11H19N5O11P2 Mol. Weight:   459.24298 Heavy Atoms:   29
Charge:   0 Is Chiral:   True logP:   -2.05
HBD:   7 HBA:   15 TPSA:   260.85
#Bonds:   36 #Rotatable Bonds:   6 Shape Complexity:   0.6363636
Stereocomplexity:   0.45454547 Ligand Type:   Small Molecule
Binding Affinity
-