PDB entry 6ccn

View 6ccn on RCSB PDB site
Description: Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-2,4-dihydroxy-N-(2-(4-hydroxy-1H-benzo[d]imidazol-2-yl)ethyl)-3,3-dimethylbutanamide
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: 1.87 Å
R-factor: N/A
AEROSPACI score: 0.35 (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 2.08: d6ccna_
  • 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 (1-158)
      • expression tag (159-160)
    Domains in SCOPe 2.08: d6ccnb1, d6ccnb2
  • Heterogens: EXS, SO4, HOH

PDB Chain Sequences:

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

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

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

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