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Related entries of code: 3f5l
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3f5jRCSB PDB    PDBbind481aa, >3F5J_1|Chains... *
3f5kRCSB PDB    PDBbind481aa, >3F5K_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 ID3f5l
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namerice BGlu1 Beta-glucosidase E176Q mutant
Ligand NameLB2
EC.Number E.C.3.2.1.21
Resolution 1.37(Å)
Affinity (Kd/Ki/IC50)Ki=0.191mM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J.Struct.Biol. Vol. 173: pp. 169-179
Ligand Properties
Formula C12H22O11
Molecular Weight 342.296
Exact Mass 342.116
No. of atoms 45
No. of bonds 46
Polar Surface Area 189.53
LOGP Value -4.18      (Computed with XLOGP3)
-5.40      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 11
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): Q75I93  
Entrez Gene IDNCBI Entrez Gene ID: 4333841  
ASDInformation of known allosteric effects of PDB entries

 
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