Browse entries in the PDBbind-CN Database

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Related entries of code: 3exe
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3exfRCSB PDB    PDBbind329aa, >3EXF_2|Chains... at 100%
3exhRCSB PDB    PDBbind329aa, >3EXH_2|Chains... at 100%
6cerRCSB PDB    PDBbind331aa, >6CER_2|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3exfRCSB PDB    PDBbindTPP
3exhRCSB PDB    PDBbindTPP
3hwxRCSB PDB    PDBbindTPP
3iafRCSB PDB    PDBbindTPP

Entry Information
PDB ID3exe
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namewt human pyruvate dehydrogenase (E1p) component
Ligand NameTPP
EC.Number E.C.1.2.4.1
Resolution 1.98(Å)
Affinity (Kd/Ki/IC50)Kd=0.11uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) Structure Vol. 16: pp. 1849-1859
Ligand Properties
Formula C12H22N4O7P2S
Molecular Weight 428.338
Exact Mass 428.068
No. of atoms 48
No. of bonds 49
Polar Surface Area 227.13
LOGP Value -1.64      (Computed with XLOGP3)
1.36      (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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