PDB Entry (5abu)

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Visualizer: MichelaNGLo

PDB ID: 5abu Resolution: 2.16 Å Exp. Method: X-RAY DIFFRACTION
PMID: 26294658 DOI: 10.1101/gad.269068.115
Protein
Protein Name: Eukaryotic translation initiation factor 4E-binding protein Mextli
Protein Class: TRANSLATION REGULATOR
Uniprot ID/ACC: Q9VR35 (MXT_DROME) Organism: Drosophila melanogaster
Gene Symbol: mxt Gene ID: 33686
Pocket Descriptors
Volume: 314.432 Depth: 12.6554
Hydrophobicity: 0.693182 Drug Score: 0.215119
Pocket Similarity: Calculate
Ligand
Ligand Name:   7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE
HET ID:   GTG PubChem:   121959, 135442196, 5288479
DrugBank:   DB03958 ChEMBL:   CHEMBL1233143
Canonical SMILES:   Nc1[nH]c(=O)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO[P@](=O)(O[P@](=O)(O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c[n+](c2c1nc(N)[nH]c2=O)C)O)O)O
Standard InChI:   InChI=1S/C21H29N10O18P3/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(47-19)3-45-51(40,41)49-52(42,43)48-50(38,39)44-2-6-10(32)12(34)18(46-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,38,39,40,41,42,43)/p+1/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
Molecular Formula:   C21H30N10O18P3+ Mol. Weight:   803.44037 Heavy Atoms:   52
Charge:   1 Is Chiral:   True logP:   -3.3849
HBD:   11 HBA:   25 TPSA:   447.8
#Bonds:   67 #Rotatable Bonds:   12 Shape Complexity:   0.52380955
Stereocomplexity:   0.52380955 Ligand Type:   Small Molecule
Binding Affinity
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