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Related entries of code: 3srb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
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%
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 ID3srb
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAcyl-homoserine lactone acylase pvdQ
Ligand Name28S
EC.Number E.C.3.5.1.97
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)IC50=65uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Acs Chem.Biol. Vol. 6: pp. 1277-1286
Ligand Properties
Formula C11H10BrN3
Molecular Weight 264.121
Exact Mass 263.006
No. of atoms 25
No. of bonds 26
Polar Surface Area 37.81
LOGP Value 3.19      (Computed with XLOGP3)
3.06      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 3
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): Q9I194  
Entrez Gene IDNCBI Entrez Gene ID: 882260  
ASDInformation of known allosteric effects of PDB entries

 
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