PDB Entry (4nwi)

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Visualizer: MichelaNGLo

PDB ID: 4nwi Resolution: 2.05 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: 469.76 Depth: 28.4837
Hydrophobicity: 0.69 Drug Score: 0.120757
Pocket Similarity: Calculate
Ligand
Ligand Name:   4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE
HET ID:   CTN PubChem:   6175
DrugBank:   DB02097 ChEMBL:   CHEMBL95606
Canonical SMILES:   OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N
Standard InChI:   InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1
Molecular Formula:   C9H13N3O5 Mol. Weight:   243.21661 Heavy Atoms:   17
Charge:   0 Is Chiral:   True logP:   -1.9818
HBD:   4 HBA:   8 TPSA:   130.83
#Bonds:   22 #Rotatable Bonds:   2 Shape Complexity:   0.5555556
Stereocomplexity:   0.44444445 Ligand Type:   Small Molecule
Binding Affinity
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