PDB Entry (2zi4)

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Visualizer: MichelaNGLo

PDB ID: 2zi4 Resolution: 2.1 Å Exp. Method: X-RAY DIFFRACTION
PMID: 18377927 DOI: 10.1016/j.jmb.2008.02.061
Protein
Protein Name: Deoxycytidine kinase
Protein Class: TRANSFERASE
Uniprot ID/ACC: P27707 (DCK_HUMAN) Organism: Homo sapiens
Gene Symbol: DCK Gene ID: 1633
Pocket Descriptors
Volume: 1354.88 Depth: 38.3792
Hydrophobicity: 0.715625 Drug Score: 0.947886
Pocket Similarity: Calculate
Ligand
Ligand Name:   (2S,3R,5S)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol
HET ID:   3L1 PubChem:   489519
DrugBank:   - ChEMBL:   CHEMBL1230141
Canonical SMILES:   OC[C@@H]1O[C@@H](C[C@H]1O)n1cnc2c1ncnc2N
Standard InChI:   InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m1/s1
Molecular Formula:   C10H13N5O3 Mol. Weight:   251.24191 Heavy Atoms:   18
Charge:   0 Is Chiral:   True logP:   -0.3696
HBD:   3 HBA:   8 TPSA:   119.31
#Bonds:   23 #Rotatable Bonds:   2 Shape Complexity:   0.5
Stereocomplexity:   0.3 Ligand Type:   Small Molecule
Binding Affinity
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