Browse entries in the PDBbind-CN Database

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Related entries of code: 4fpk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2vw1RCSB PDB    PDBbind697aa, >2VW1_1|Chain... *
2vw2RCSB PDB    PDBbind697aa, >2VW2_1|Chain... at 100%
4fpfRCSB PDB    PDBbind697aa, >4FPF_1|Chain... 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 ID4fpk
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSialidase B
Ligand NameIJ1
EC.Number E.C.3.2.1.18
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)IC50=57.4uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Chembiochem Vol. 13: pp. 2374-2383
Ligand Properties
Formula C10H18NO3S
Molecular Weight 232.320
Exact Mass 232.101
No. of atoms 33
No. of bonds 33
Polar Surface Area 102.6
LOGP Value -1.66      (Computed with XLOGP3)
1.28      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 1
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): Q54727  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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