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Related entries of code: 1vcu
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2f0zRCSB PDB    PDBbind382aa, >2F0Z_1|Chain... at 100%
2f10RCSB PDB    PDBbind382aa, >2F10_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1f8bRCSB PDB    PDBbindDAN
1ms0RCSB PDB    PDBbindDAN
1n1tRCSB PDB    PDBbindDAN
1n1vRCSB PDB    PDBbindDAN
1nnbRCSB PDB    PDBbindDAN
1wcqRCSB PDB    PDBbindDAN
2cexRCSB PDB    PDBbindDAN
2qwcRCSB PDB    PDBbindDAN
2simRCSB PDB    PDBbindDAN
2vk6RCSB PDB    PDBbindDAN
2vw1RCSB PDB    PDBbindDAN
2ya6RCSB PDB    PDBbindDAN
6s0eRCSB PDB    PDBbindDAN
4x47RCSB PDB    PDBbindDAN
6cklRCSB PDB    PDBbindDAN
Entry Information
PDB ID1vcu
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman cytosolic sialidase Neu2
Ligand NameDAN
EC.Number E.C.3.2.1.18
Resolution 2.85(Å)
Affinity (Kd/Ki/IC50)Ki=0.14mM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference (2010) J. Med. Chem., Vol.53, pp.2998-3002
Ligand Properties
Formula C11H19NO8
Molecular Weight 293.270
Exact Mass 293.111
No. of atoms 39
No. of bonds 39
Polar Surface Area 156.55
LOGP Value -1.82      (Computed with XLOGP3)
-2.80      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 9
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): Q9Y3R4  
Entrez Gene IDNCBI Entrez Gene ID: 4759  
ASDInformation of known allosteric effects of PDB entries
 
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