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Related entries of code: 3t0t
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3t07RCSB PDB    PDBbind606aa, >3T07_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3t0t
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePyruvate kinase
Ligand NameI30
EC.Number E.C.2.7.1.40
Resolution 3.1(Å)
Affinity (Kd/Ki/IC50)IC50=91nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Acs Chem.Biol. Vol. 7: pp. 350-359
Ligand Properties
Formula C16H13BrN4O2
Molecular Weight 373.204
Exact Mass 372.022
No. of atoms 36
No. of bonds 38
Polar Surface Area 90.7
LOGP Value 4.41      (Computed with XLOGP3)
4.38      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
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): Q6GG09  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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