PDB Entry (3asz)

Download

Visualizer: MichelaNGLo

PDB ID: 3asz Resolution: 2.25 Å Exp. Method: X-RAY DIFFRACTION
PMID: 21539325 DOI: 10.1021/bi102054n
Protein
Protein Name: Uridine kinase
Protein Class: TRANSFERASE
Uniprot ID/ACC: Q5SKR5 (URK_THET8) Organism: Thermus thermophilus
Gene Symbol: - Gene ID: 3168643
Pocket Descriptors
Volume: 1220.29 Depth: 28.0496
Hydrophobicity: 0.694678 Drug Score: 0.942934
Pocket Similarity: Calculate
Ligand
Ligand Name:   CYTIDINE-5'-MONOPHOSPHATE
HET ID:   C5P PubChem:   6131
DrugBank:   DB03403 ChEMBL:   CHEMBL307679
Canonical SMILES:   O[C@@H]1[C@H](O)[C@H](O[C@H]1n1ccc(nc1=O)N)COP(=O)(O)O
Standard InChI:   InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Molecular Formula:   C9H14N3O8P Mol. Weight:   323.19653 Heavy Atoms:   21
Charge:   0 Is Chiral:   True logP:   -1.8648
HBD:   5 HBA:   11 TPSA:   187.17
#Bonds:   26 #Rotatable Bonds:   4 Shape Complexity:   0.5555556
Stereocomplexity:   0.44444445 Ligand Type:   Small Molecule
Binding Affinity
-