PDB entry 4e01

View 4e01 on RCSB PDB site
Description: Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/3,6-dichlorobenzo[b]thiophene-2-carboxylic acid complex with AMPPNP
Class: transferase/transferase inhibitor
Keywords: GHKL protein kinase, Allosteric kinase inhibitor, Branched-chain alpha-ketoacid, Branched-chain amino acids, Maple syrup urine disease, Diabetes and obesity, Bergerat nucleotide-binding fold, protein kinase, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2012-03-02, released 2013-03-27
The last revision prior to the SCOPe 2.08 freeze date was dated 2013-03-27, with a file datestamp of 2013-03-22.
Experiment type: XRAY
Resolution: 1.97 Å
R-factor: 0.198
AEROSPACI score: 0.44 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: [3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial
    Species: Rattus norvegicus [TaxId:10116]
    Gene: Bckdk
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4e01a1, d4e01a2
  • Heterogens: 0F1, MG, K, ANP, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4e01A (A:)
miltsvlgsgprsgsslwpllgsslslrvrstsatdthhvelarersktvtsfynqsaid
vvaekpsvrltptmmlysgrsqdgshllksgrylqqelpvriahrikgfrslpfiigcnp
tilhvhelyirafqkltdfppikdqadeaqycqlvrqllddhkdvvtllaeglresrkhi
edeklvryfldktltsrlgirmlathhlalhedkpdfvgiictrlspkkiiekwvdfarr
lcehkygnaprvringhvaarfpfipmpldyilpellknamratmeshldtpynvpdvvi
tianndvdliirisdrgggiahkdldrvmdyhfttaeastqdprisplfghldmhsggqs
gpmhgfgfglptsrayaeylggslqlqslqgigtdvylrlrhidgreesfrihhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4e01A (A:)
ltptmmlysgrsqdgshllksgrylqqelpvriahrikgfrslpfiigcnptilhvhely
irafqkltdfppikdqadeaqycqlvrqllddhkdvvtllaeglresrkhiedeklvryf
ldktltsrlgirmlathhlalhedkpdfvgiictrlspkkiiekwvdfarrlcehkygna
prvringhvaarfpfipmpldyilpellknamratmeshldtpynvpdvvitianndvdl
iirisdrgggiahkdldrvmdyhfttagfgfglptsrayaeylggslqlqslqgigtdvy
lrlrhidg