› 4e01

X-ray diffraction
1.97Å resolution

Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/3,6-dichlorobenzo[b]thiophene-2-carboxylic acid complex with AMPPNP

Released:
DOI: 10.2210/pdb4e01/pdb
PDB entry 4e01 coloured by chain, front view.
PDB entry 4e01 coloured by chain, side view.
PDB entry 4e01 coloured by chain, top view.
Source organism: Rattus norvegicus
Entry authors: Tso SC, Chuang JL, Gui WJ, Wynn RM, Li J, Chuang DT

Function and Biology Details

Reactions catalysed: 
ATP + a protein = ADP + a phosphoprotein
ATP + [3-methyl-2-oxobutanoate dehydrogenase (acetyl-transferring)] = ADP + [3-methyl-2-oxobutanoate dehydrogenase (acetyl-transferring)] phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assemblies composition:
homo dimer (preferred)
homo tetramer
Assembly name:
PDBe Complex ID:
PDB-CPX-169496 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Branched-chain alpha-ketoacid dehydrogenase kinase Chain: A
Molecule details ›
Chain: A
Length: 418 amino acids
Theoretical weight: 47.37 KDa
Source organism: Rattus norvegicus
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q00972 (Residues: 1-412; Coverage: 100%)
Gene name: Bckdk
Sequence domains:
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand 0F1 1 x 0F1
Ligand MG 1 x MG
Ligand K 1 x K
Ligand ANP 1 x ANP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P42212
Unit cell:
a: 127.277Å b: 127.277Å c: 73.994Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.198 0.197 0.22
Expression system: Escherichia coli BL21

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