PDB entry 6chl

View 6chl on RCSB PDB site
Description: Phosphopantetheine adenylyltransferase (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 CaaD, FBDD Gram-negative antibacterial antibiotic, Transferase Transferase-antibiotic complex, TRANSFERASE-ANTIBIOTIC complex
Deposited on 2018-02-22, released 2018-04-04
The last revision prior to the SCOPe 2.07 freeze date was dated 2018-04-04, with a file datestamp of 2018-03-29.
Experiment type: XRAY
Resolution: 2.2 Å
R-factor: N/A
AEROSPACI score: 0.27 (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):
    • Uniprot P0A6I6 (1-158)
      • expression tag (159-160)
    Domains in SCOPe 2.07: d6chla1, d6chla2
  • 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): Domains in SCOPe 2.07: d6chlb_
  • Heterogens: EXJ, SO4, DMS, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >6chlA (A:)
    qkraiypgtfdpitnghidivtratqmfdhvilaiaaspskkpmftleervalaqqatah
    lgnvevvgfsdlmanfarnqhatvlirglravadfeyemqlahmnrhlmpelesvflmps
    kewsfissslvkevarhqgdvthflpenvhqalmaklavd
    

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

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