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Related entries of code: 3f5k
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3f5jRCSB PDB    PDBbind481aa, >3F5J_1|Chains... *
3f5lRCSB PDB    PDBbind481aa, >3F5L_1|Chains... at 100%
4qlkRCSB PDB    PDBbind481aa, >4QLK_1|Chains... at 99%
4qllRCSB PDB    PDBbind481aa, >4QLL_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3f5k
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namerice BGlu1 Beta-glucosidase E176Q mutant
Ligand NameCE5
EC.Number E.C.3.2.1.21
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Ki=0.024mM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J.Struct.Biol. Vol. 173: pp. 169-179
Ligand Properties
Formula C30H52O26
Molecular Weight 828.718
Exact Mass 828.275
No. of atoms 108
No. of bonds 112
Polar Surface Area 426.98
LOGP Value -11.17      (Computed with XLOGP3)
-11.92      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 17
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 30
No. of Nitrogen and Oxygen Atoms: 26
No. of Rings: 5
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): Q75I93  
Entrez Gene IDNCBI Entrez Gene ID: 4333841  
ASDInformation of known allosteric effects of PDB entries

 
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