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Related entries of code: 2vaq
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 ID2vaq
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameStrictosidine synthase
Ligand NameVAW
EC.Number E.C.4.3.3.2
Resolution 3.01(Å)
Affinity (Kd/Ki/IC50)IC50=3nM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) J.Am.Chem.Soc. Vol. 130: pp. 710-723
Ligand Properties
Formula C27H37N2O9
Molecular Weight 533.591
Exact Mass 533.250
No. of atoms 75
No. of bonds 78
Polar Surface Area 167.31
LOGP Value 0.96      (Computed with XLOGP3)
-0.69      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 4
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): P68175  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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