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Related entries of code: 4wku
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3srbRCSB PDB    PDBbind163aa, >3SRB_1|Chain... at 100%
3srcRCSB PDB    PDBbind164aa, >3SRC_1|Chain... at 100%
4k2fRCSB PDB    PDBbind170aa, >4K2F_1|Chain... *
4k2gRCSB PDB    PDBbind170aa, >4K2G_1|Chain... at 100%
4m1jRCSB PDB    PDBbind165aa, >4M1J_2|Chain... at 100%
4wksRCSB PDB    PDBbind165aa, >4WKS_2|Chain... at 100%
4wktRCSB PDB    PDBbind165aa, >4WKT_2|Chain... at 100%
4wkvRCSB PDB    PDBbind165aa, >4WKV_2|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4wku
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namepure Acyl-homoserine lactone acylase PvdQ
Ligand Name3QJ
EC.Number E.C.3.5.1.97
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Ki=2.1uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Biochemistry Vol. 53: pp. 6679-6686
Ligand Properties
Formula C6H17BO2
Molecular Weight 132.009
Exact Mass 132.132
No. of atoms 26
No. of bonds 25
Polar Surface Area 18.46
LOGP Value 2.04      (Computed with XLOGP3)
0.50      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
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): Q9I194  
Entrez Gene IDNCBI Entrez Gene ID: 882260  
ASDInformation of known allosteric effects of PDB entries

 
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