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Related entries of code: 3t07
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3t0tRCSB PDB    PDBbind606aa, >3T0T_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 ID3t07
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePyruvate kinase
Ligand Name09C
EC.Number E.C.2.7.1.40
Resolution 3.3(Å)
Affinity (Kd/Ki/IC50)IC50=16nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J.Biol.Chem. Vol. 286: pp. 44716-44725
Ligand Properties
Formula C20H14Br2N4O
Molecular Weight 486.159
Exact Mass 483.953
No. of atoms 41
No. of bonds 45
Polar Surface Area 73.04
LOGP Value 4.26      (Computed with XLOGP3)
4.60      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 5
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): Q6GG09  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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