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Related entries of code: 2wei
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3mwuRCSB PDB    PDBbind486aa, >3MWU:A|PDBID|CHAIN|... *
3ncgRCSB PDB    PDBbind486aa, >3NCG:A|PDBID|CHAIN|... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4lggRCSB PDB    PDBbindVGG

Entry Information
PDB ID2wei
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Ligand NameVGG
EC.Number E.C.
Resolution 1.65(Å)
Affinity (Kd/Ki/IC50)IC50=3.4nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference(2011) Bmc Genomics Vol. 12: pp. 478
Ligand Properties
Formula C17H21N5
Molecular Weight 295.382
Exact Mass 295.180
No. of atoms 43
No. of bonds 45
Polar Surface Area 69.62
LOGP Value 3.05      (Computed with XLOGP3)
3.64      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
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): A3FQ16  
Entrez Gene IDNCBI Entrez Gene ID: 3373944  
ASDInformation of known allosteric effects of PDB entries

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