PDB entry 6cck

View 6cck on RCSB PDB site
Description: Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-3-(3-chlorophenyl)-3-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)propanenitrile
Class: TRANSFERASE/antibiotic
Keywords: PPAT CoaD FBDD phosphopantetheine adenylyltransferase Gram-negative antibacterial antibiotic, TRANSFERASE, TRANSFERASE-antibiotic complex
Deposited on 2018-02-07, released 2018-03-14
The last revision prior to the SCOPe 2.07 freeze date was dated 2018-03-14, with a file datestamp of 2018-03-09.
Experiment type: XRAY
Resolution: 1.61 Å
R-factor: N/A
AEROSPACI score: 0.43 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: phosphopantetheine adenylyltransferase
    Species: Escherichia coli (strain K12) [TaxId:83333]
    Gene: coaD, kdtB, yicA, b3634, JW3609
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6ccka_
  • Chain 'B':
    Compound: phosphopantetheine adenylyltransferase
    Species: Escherichia coli (strain K12) [TaxId:83333]
    Gene: coaD, kdtB, yicA, b3634, JW3609
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A6I6 (0-158)
      • expression tag (159)
    Domains in SCOPe 2.07: d6cckb1, d6cckb2
  • Heterogens: EXJ, ATP, MG, SO4, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >6cckA (A:)
    mqkraiypgtfdpitnghidivtratqmfdhvilaiaaspskkpmftleervalaqqata
    hlgnvevvgfsdlmanfarnqhatvlirglravadfeyemqlahmnrhlmpelesvflmp
    skewsfissslvkevarhqgdvthflpenvhqalmakla
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >6cckB (B:)
    mqkraiypgtfdpitnghidivtratqmfdhvilaiaaspskkpmftleervalaqqata
    hlgnvevvgfsdlmanfarnqhatvlirglravadfeyemqlahmnrhlmpelesvflmp
    skewsfissslvkevarhqgdvthflpenvhqalmaklav