Browse entries in the PDBbind-CN Database

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Related entries of code: 3exh
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%
6cerRCSB PDB    PDBbind331aa, >6CER_2|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3exeRCSB PDB    PDBbindTPP
3exfRCSB PDB    PDBbindTPP
3hwxRCSB PDB    PDBbindTPP
3iafRCSB PDB    PDBbindTPP

Entry Information
PDB ID3exh
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namehuman pyruvate dehydrogenase (phospho-S1-E1p) component
Ligand NameTPP
EC.Number E.C.1.2.4.1
Resolution 2.44(Å)
Affinity (Kd/Ki/IC50)Kd=13.1uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) Structure Vol. 16: pp. 1849-1859
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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