Browse entries in the PDBbind-CN Database

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Related entries of code: 4c1w
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4yz5RCSB PDB    PDBbindSLT
5b2dRCSB PDB    PDBbindSLT
Entry Information
PDB ID4c1w
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCarbohydrate binding domain from Streptococcus pneumoniae NanA sialidase
Ligand NameSLT
EC.Number E.C.-.-.-.-
Resolution 1.84(Å)
Affinity (Kd/Ki/IC50)Kd=0.39nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Proc.Natl.Acad.Sci.USA Vol. 111: pp. 6401
Ligand Properties
Formula C23H39NO19
Molecular Weight 633.551
Exact Mass 633.212
No. of atoms 82
No. of bonds 84
Polar Surface Area 335.08
LOGP Value -6.32      (Computed with XLOGP3)
-7.83      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 14
No. of Rotatable Bonds: 22
No. of Nitrogen and Oxygen Atoms: 20
No. of Rings: 3
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): Q4LB86  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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