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Related entries of code: 1duv
Entries with 90% protein sequence similarity cutoff in PDBbind
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No similar entries are found!
Complexes with the same small molecule ligand
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No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1duv
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameornithine transcarbamoylase
Ligand NamePSQ
EC.Number E.C.2.1.3.3
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)Kd=1.6pM
Release Year2000
Protein/NA SequenceCheck fasta file
Primary Reference J.Biol.Chem. v275 pp. 20012-9, 2000
Ligand Properties
Formula C5H18N4O6PS
Molecular Weight 293.258
Exact Mass 293.068
No. of atoms 35
No. of bonds 34
Polar Surface Area 227.89
LOGP Value -4.67      (Computed with XLOGP3)
0.33      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 0
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): P04391  
Entrez Gene IDNCBI Entrez Gene ID: 948774  
ASDInformation of known allosteric effects of PDB entries

 
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