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Related entries of code: 2vi5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2c92RCSB PDB    PDBbind160aa, >2C92_1|Chains... *
2c94RCSB PDB    PDBbind160aa, >2C94_1|Chains... at 100%
2c97RCSB PDB    PDBbind160aa, >2C97_1|Chains... at 100%
2c9bRCSB PDB    PDBbind160aa, >2C9B_1|Chains... at 100%
2c9dRCSB PDB    PDBbind160aa, >2C9D_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID2vi5
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameM. tuberculosis lumazine synthase
Ligand NameY19
EC.Number E.C.2.5.1.9
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Ki=110uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) J.Org.Chem. Vol. 73: pp. 2715
Ligand Properties
Formula C12H20N4O7
Molecular Weight 332.310
Exact Mass 332.133
No. of atoms 43
No. of bonds 43
Polar Surface Area 180.58
LOGP Value -3.16      (Computed with XLOGP3)
-3.26      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 13
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): P9WHE9  
Entrez Gene IDNCBI Entrez Gene ID: 886681  
ASDInformation of known allosteric effects of PDB entries

 
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