Browse entries in the PDBbind-CN Database

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Related entries of code: 3tay
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
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3tay
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameOuter capsid protein VP4
Ligand NameMN0
EC.Number E.C.-.-.-.-
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)Kd=0.42mM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Virol. Vol. 86: pp. 13456-13466
Ligand Properties
Formula C12H21NO10
Molecular Weight 339.296
Exact Mass 339.117
No. of atoms 44
No. of bonds 44
Polar Surface Area 186.01
LOGP Value -2.70      (Computed with XLOGP3)
-3.85      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 11
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): P0C6Y8  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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