PDB entry 6ccm

View 6ccm on RCSB PDB site
Description: Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-((3-bromobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
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 2.08 freeze date was dated 2018-05-09, with a file datestamp of 2018-05-04.
Experiment type: XRAY
Resolution: 1.79 Å
R-factor: N/A
AEROSPACI score: 0.37 (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 (0-158)
      • expression tag (159)
    Domains in SCOPe 2.08: d6ccma1, d6ccma2
  • 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 2.08: d6ccmb_
  • Heterogens: EXP, SO4, HOH

PDB Chain Sequences:

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

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

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

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