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Related entries of code: 3lpf
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3k4dRCSB PDB    PDBbind605aa, >3K4D_1|Chains... *
3lpgRCSB PDB    PDBbind605aa, >3LPG_1|Chains... at 100%
4jhzRCSB PDB    PDBbind603aa, >4JHZ_1|Chains... 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 ID3lpf
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameE. coli beta-glucuronidase
Ligand NameZ77
EC.Number E.C.3.2.1.31
Resolution 2.26(Å)
Affinity (Kd/Ki/IC50)Ki=208nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Science Vol. 330: pp. 831-835
Ligand Properties
Formula C22H25N3O3S
Molecular Weight 411.517
Exact Mass 411.162
No. of atoms 54
No. of bonds 56
Polar Surface Area 109.68
LOGP Value 2.64      (Computed with XLOGP3)
3.42      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
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): P05804  
Entrez Gene IDNCBI Entrez Gene ID: 946149  
ASDInformation of known allosteric effects of PDB entries

 
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