PDB Entry (1uej)

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Visualizer: MichelaNGLo

PDB ID: 1uej Resolution: 2.61 Å Exp. Method: X-RAY DIFFRACTION
PMID: 15130468 DOI: 10.1016/j.str.2004.02.038
Protein
Protein Name: Uridine-cytidine kinase 2
Protein Class: TRANSFERASE
Uniprot ID/ACC: Q9BZX2 (UCK2_HUMAN) Organism: Homo sapiens
Gene Symbol: UCK2 Gene ID: 7371
Pocket Descriptors
Volume: 964.288 Depth: 26.8278
Hydrophobicity: 0.669065 Drug Score: 0.512798
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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