PDB entry 6ckw

View 6ckw on RCSB PDB site
Description: Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-3-((7-(((S)-2-amino-2-(2-methoxyphenyl)ethyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)-3-(3-chlorophenyl)propanenitrile
Class: transferase/antibiotic
Keywords: Dephospho-CoA pyrophosphorylase, Pantetheine-phosphate adenylyltransferase, PPAT CaaD, FBDD Gram-negative antibacterial antibiotic, Transferase Transferase-antibiotic complex, TRANSFERASE, TRANSFERASE-ANTIBIOTIC complex
Deposited on 2018-03-01, released 2018-04-04
The last revision prior to the SCOPe 2.08 freeze date was dated 2018-05-09, with a file datestamp of 2018-05-04.
Experiment type: XRAY
Resolution: 2.06 Å
R-factor: N/A
AEROSPACI score: 0.3 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: phosphopantetheine adenylyltransferase
    Species: Escherichia coli [TaxId:83333]
    Gene: coaD, kdtB, yicA, b3634, JW3609
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6ckwa_
  • Chain 'B':
    Compound: phosphopantetheine adenylyltransferase
    Species: Escherichia coli [TaxId:83333]
    Gene: coaD, kdtB, yicA, b3634, JW3609
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A6I6 (Start-158)
      • expression tag (159)
    Domains in SCOPe 2.08: d6ckwb1, d6ckwb2
  • Heterogens: F6D, SO4, DMS, PG4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6ckwA (A:)
mqkraiypgtfdpitnghidivtratqmfdhvilaiaaspskkpmftleervalaqqata
hlgnvevvgfsdlmanfarnqhatvlirglravadfeyemqlahmnrhlmpelesvflmp
skewsfissslvkevarhqgdvthflpenvhqalmaklavd

    Sequence, based on observed residues (ATOM records): (download) 
    >6ckwA (A:)
kraiypgtfdpitnghidivtratqmfdhvilaiaaspskkpmftleervalaqqatahl
gnvevvgfsdlmanfarnqhatvlirglravadfeyemqlahmnrhlmpelesvflmpsk
ewsfissslvkevarhqgdvthflpenvhqalmakla

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6ckwB (B:)
mqkraiypgtfdpitnghidivtratqmfdhvilaiaaspskkpmftleervalaqqata
hlgnvevvgfsdlmanfarnqhatvlirglravadfeyemqlahmnrhlmpelesvflmp
skewsfissslvkevarhqgdvthflpenvhqalmaklavd

    Sequence, based on observed residues (ATOM records): (download) 
    >6ckwB (B:)
qkraiypgtfdpitnghidivtratqmfdhvilaiaaspskkpmftleervalaqqatah
lgnvevvgfsdlmanfarnqhatvlirglravadfeyemqlahmnrhlmpelesvflmps
kewsfissslvkevarhqgdvthflpenvhqalmaklav