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Related entries of code: 3ehw
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2hquRCSB PDB    PDBbind164aa, >2HQU_1|Chains... *
3araRCSB PDB    PDBbind164aa, >3ARA_1|Chains... at 100%
3arnRCSB PDB    PDBbind164aa, >3ARN_1|Chains... at 100%
4mz5RCSB PDB    PDBbind13aa, >4MZ5_1|Chains... at 100%
5h4jRCSB PDB    PDBbind164aa, >5H4J_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2hquRCSB PDB    PDBbindDUP
2py4RCSB PDB    PDBbindDUP
2yayRCSB PDB    PDBbindDUP
4gv8RCSB PDB    PDBbindDUP
5ectRCSB PDB    PDBbindDUP
5eddRCSB PDB    PDBbindDUP
5hvaRCSB PDB    PDBbindDUP
5hwuRCSB PDB    PDBbindDUP
5mydRCSB PDB    PDBbindDUP
5nyzRCSB PDB    PDBbindDUP
5nz2RCSB PDB    PDBbindDUP

Entry Information
PDB ID3ehw
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHuman dUTPase
Ligand NameDUP
EC.Number E.C.
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)IC50=15.2uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J. Med. Chem., Vol.55, pp.2970-2980
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): P33316  
Entrez Gene IDNCBI Entrez Gene ID: 1854  
ASDInformation of known allosteric effects of PDB entries

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