Browse entries in the PDBbind-CN Database

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Related entries of code: 6cer
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3exeRCSB PDB    PDBbind329aa, >3EXE_2|Chains... at 100%
3exfRCSB PDB    PDBbind329aa, >3EXF_2|Chains... at 100%
3exhRCSB PDB    PDBbind329aa, >3EXH_2|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1olsRCSB PDB    PDBbindTDP
1oluRCSB PDB    PDBbindTDP
1olxRCSB PDB    PDBbindTDP
1v11RCSB PDB    PDBbindTDP
1v16RCSB PDB    PDBbindTDP
1v1mRCSB PDB    PDBbindTDP
2qtaRCSB PDB    PDBbindTDP
3lplRCSB PDB    PDBbindTDP
3lq2RCSB PDB    PDBbindTDP
3lq4RCSB PDB    PDBbindTDP
Entry Information
PDB ID6cer
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial
Ligand NameTDP
EC.Number E.C.1.2.4.1
Resolution 2.69(Å)
Affinity (Kd/Ki/IC50)Kd=4.39uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) J. Biol. Chem. Vol. 293: pp. 13204-13213
Ligand Properties
Formula C12H21N4O7P2S
Molecular Weight 427.330
Exact Mass 427.061
No. of atoms 47
No. of bonds 48
Polar Surface Area 231.76
LOGP Value -1.41      (Computed with XLOGP3)
1.34      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 11
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): P08559  P11177  
Entrez Gene IDNCBI Entrez Gene ID: 5160  5162  
ASDInformation of known allosteric effects of PDB entries
 
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