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Related entries of code: 4wks
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%
4wktRCSB PDB    PDBbind165aa, >4WKT_2|Chain... at 100%
4wkuRCSB PDB    PDBbind165aa, >4WKU_1|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 ID4wks
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namepure Acyl-homoserine lactone acylase PvdQ
Ligand Name3QD
EC.Number E.C.3.5.1.97
Resolution 1.63(Å)
Affinity (Kd/Ki/IC50)Ki=2mM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Biochemistry Vol. 53: pp. 6679-6686
Ligand Properties
Formula C2H7BO
Molecular Weight 57.887
Exact Mass 58.059
No. of atoms 11
No. of bonds 10
Polar Surface Area 20.23
LOGP Value 0.53      (Computed with XLOGP3)
-0.23      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 1
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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