Browse entries in the PDBbind-CN Database

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Related entries of code: 4iif
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4iicRCSB PDB    PDBbind841aa, >4IIC_1|Chains... *
4iidRCSB PDB    PDBbind841aa, >4IID_1|Chains... at 100%
4iieRCSB PDB    PDBbind841aa, >4IIE_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2cbuRCSB PDB    PDBbindCTS
2jkpRCSB PDB    PDBbindCTS
2pwgRCSB PDB    PDBbindCTS

Entry Information
PDB ID4iif
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameBeta-glucosidase 1
Ligand NameCTS
EC.Number E.C.3.2.1.21
Resolution 2.45(Å)
Affinity (Kd/Ki/IC50)Ki=6.6uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Biochem.J. Vol. 452: pp. 211-221
Ligand Properties
Formula C8H16NO4
Molecular Weight 190.217
Exact Mass 190.108
No. of atoms 29
No. of bonds 30
Polar Surface Area 85.36
LOGP Value -2.24      (Computed with XLOGP3)
-2.33      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
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): P48825  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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