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Related entries of code: 1rp7
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2qtaRCSB PDB    PDBbind886aa, >2QTA_1|Chains... at 99%
3lplRCSB PDB    PDBbind886aa, >3LPL_1|Chains... at 99%
3lq2RCSB PDB    PDBbind886aa, >3LQ2_1|Chains... at 99%
3lq4RCSB PDB    PDBbind886aa, >3LQ4_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1rp7
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namepyruvate dehydrogenase e1
Ligand NameTZD
EC.Number E.C.1.2.4.1
Resolution 2.09(Å)
Affinity (Kd/Ki/IC50)Ki=0.003uM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v43 pp. 2405-11, 2004
Ligand Properties
Formula C12H20N4O8P2S
Molecular Weight 442.322
Exact Mass 442.048
No. of atoms 47
No. of bonds 48
Polar Surface Area 248.83
LOGP Value -2.20      (Computed with XLOGP3)
0.42      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 12
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): P0AFG8  
Entrez Gene IDNCBI Entrez Gene ID: 61752641  944834  
ASDInformation of known allosteric effects of PDB entries

 
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