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Related entries of code: 2wk6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1uouRCSB PDB    PDBbind474aa, >1UOU_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID2wk6
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namehuman Thymidine phosphorylase (TP)
Ligand NameIUR
EC.Number E.C.2.4.2.4
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)Ki=0.48mM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Biochem.Biophys.Res.Commun. Vol. 386: pp. 666-670
Ligand Properties
Formula C4H3IN2O2
Molecular Weight 237.983
Exact Mass 237.924
No. of atoms 12
No. of bonds 12
Polar Surface Area 58.53
LOGP Value -0.12      (Computed with XLOGP3)
-0.13      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 1
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): P19971  
Entrez Gene IDNCBI Entrez Gene ID: 1890  
ASDInformation of known allosteric effects of PDB entries

 
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