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Related entries of code: 4re3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4re2RCSB PDB    PDBbind503aa, >4RE2_1|Chain... *
4re4RCSB PDB    PDBbind503aa, >4RE4_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2ceqRCSB PDB    PDBbindGIM
2cesRCSB PDB    PDBbindGIM
3d4zRCSB PDB    PDBbindGIM

Entry Information
PDB ID4re3
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBeta-mannosidase/beta-glucosidase, GH1 Os7BGlu26
Ligand NameGIM
EC.Number E.C.3.2.1.25
Resolution 2.55(Å)
Affinity (Kd/Ki/IC50)Ki=2.7nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) ACS CATALYSIS Vol. 5: pp. 6041-6051
Ligand Properties
Formula C8H12N2O4
Molecular Weight 200.192
Exact Mass 200.080
No. of atoms 26
No. of bonds 27
Polar Surface Area 98.74
LOGP Value -2.43      (Computed with XLOGP3)
-1.81      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
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): A2YPH1  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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