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Related entries of code: 2vaq
Entries with 90% protein sequence similarity cutoff in PDBbind
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No similar entries are found!
Complexes with the same small molecule ligand
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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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