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Related entries of code: 1iup
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID1iup
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namemeta-cleavage product hydrolase
Ligand NameALQ
EC.Number E.C.3.7.1.9
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)Ki=2.9mM
Release Year2002
Protein/NA SequenceCheck fasta file
Primary Reference PROTEIN SCI. v11 pp. 2184-95, 2002
Ligand Properties
Formula C4H8O2
Molecular Weight 88.105
Exact Mass 88.052
No. of atoms 14
No. of bonds 13
Polar Surface Area 37.3
LOGP Value 2.03      (Computed with XLOGP3)
0.73      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 2
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): P96965  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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