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Related entries of code: 3pp7
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
2h9tRCSB PDB    PDBbindSVR
2nyrRCSB PDB    PDBbindSVR
3ur0RCSB PDB    PDBbindSVR
4j4vRCSB PDB    PDBbindSVR
4x3uRCSB PDB    PDBbindSVR
4yv5RCSB PDB    PDBbindSVR
6ce2RCSB PDB    PDBbindSVR
Entry Information
PDB ID3pp7
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePyruvate kinase
Ligand NameSVR
EC.Number E.C.2.7.1.40
Resolution 2.35(Å)
Affinity (Kd/Ki/IC50)Ki=115.6uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J.Biol.Chem. Vol. 286: pp. 31232-31240
Ligand Properties
Formula C25H26N2O11S3
Molecular Weight 626.676
Exact Mass 626.070
No. of atoms 67
No. of bonds 70
Polar Surface Area 316.17
LOGP Value 1.70      (Computed with XLOGP3)
7.55      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 4
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): Q27686  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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