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Related entries of code: 2gtv
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
1figRCSB PDB    PDBbindTSA

Entry Information
PDB ID2gtv
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namechorismate mutase
Ligand NameTSA
EC.Number E.C.5.4.99.5
Resolution NMR
Affinity (Kd/Ki/IC50)Kd=7uM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference Nature Struct. Mol. Biol. 2007, 14, 1202-1206.
Ligand Properties
Formula C10H12O6
Molecular Weight 228.199
Exact Mass 228.063
No. of atoms 28
No. of bonds 29
Polar Surface Area 104.06
LOGP Value 1.63      (Computed with XLOGP3)
-0.38      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 2
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): Q57696  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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