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Related entries of code: 5edd
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2py4RCSB PDB    PDBbind174aa, >2PY4_1|Chain... *
5ectRCSB PDB    PDBbind162aa, >5ECT_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2hquRCSB PDB    PDBbindDUP
2py4RCSB PDB    PDBbindDUP
2yayRCSB PDB    PDBbindDUP
3ehwRCSB PDB    PDBbindDUP
4gv8RCSB PDB    PDBbindDUP
5ectRCSB PDB    PDBbindDUP
5hvaRCSB PDB    PDBbindDUP
5hwuRCSB PDB    PDBbindDUP
5mydRCSB PDB    PDBbindDUP
5nyzRCSB PDB    PDBbindDUP
5nz2RCSB PDB    PDBbindDUP
Entry Information
PDB ID5edd
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameMycobacterium tuberculosis dUTPase R140K, H145W mutant
Ligand NameDUP
EC.Number E.C.3.6.1.23
Resolution 1.97(Å)
Affinity (Kd/Ki/IC50)Kd=5.7uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J. Am. Chem. Soc. Vol. 138: pp. 15035-15045
Ligand Properties
Formula C9H19N3O13P3
Molecular Weight 470.181
Exact Mass 470.013
No. of atoms 47
No. of bonds 48
Polar Surface Area 297.19
LOGP Value -5.77      (Computed with XLOGP3)
-2.82      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 16
No. of Rings: 2
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): P9WNS5  
Entrez Gene IDNCBI Entrez Gene ID: 45426685  887290  
ASDInformation of known allosteric effects of PDB entries
 
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