PDB Entry (4nv0)

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Visualizer: MichelaNGLo

PDB ID: 4nv0 Resolution: 1.65 Å Exp. Method: X-RAY DIFFRACTION
PMID: 24603684 DOI: 10.1371/journal.pone.0090915
Protein
Protein Name: 7-methylguanosine phosphate-specific 5'-nucleotidase
Protein Class: HYDROLASE
Uniprot ID/ACC: Q9W197 (5NT3B_DROME) Organism: Drosophila melanogaster
Gene Symbol: cN-IIIB Gene ID: 37875
Pocket Descriptors
Volume: 500.736 Depth: 26.4416
Hydrophobicity: 0.689655 Drug Score: 0.16974
Pocket Similarity: Calculate
Ligand
Ligand Name:   7-METHYLGUANOSINE
HET ID:   MG7 PubChem:   135445750
DrugBank:   DB03493 ChEMBL:   CHEMBL1234293
Canonical SMILES:   OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c[n+](c2c1nc(N)[nH]c2=O)C
Standard InChI:   InChI=1S/C11H15N5O5/c1-15-3-16(8-5(15)9(20)14-11(12)13-8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2-,12,13,14,20)/p+1/t4-,6-,7-,10-/m1/s1
Molecular Formula:   C11H16N5O5+ Mol. Weight:   298.27524 Heavy Atoms:   21
Charge:   1 Is Chiral:   True logP:   -2.676
HBD:   5 HBA:   8 TPSA:   150.5
#Bonds:   28 #Rotatable Bonds:   2 Shape Complexity:   0.54545456
Stereocomplexity:   0.36363637 Ligand Type:   Small Molecule
Binding Affinity
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