PDB entry 6buv

View 6buv on RCSB PDB site
Description: Structure of Mycobacterium tuberculosis NadD in complex with inhibitor [(1~{R},2~{R},5~{S})-5-methyl-2-propan-2-yl-cyclohexyl] 2-[3-methyl-2-(phenoxymethyl)benzimidazol-1-yl]ethanoate
Class: transferase/transferase inhibitor
Keywords: Rossman fold, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2017-12-11, released 2018-12-12
The last revision prior to the SCOPe 2.07 freeze date was dated 2018-12-12, with a file datestamp of 2018-12-07.
Experiment type: XRAY
Resolution: 1.86 Å
R-factor: N/A
AEROSPACI score: 0.35 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: nicotinate mononucleotide adenylyltransferase NadD
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Gene: nadD, Rv2421c, MTCY428.26
    Database cross-references and differences (RAF-indexed):
    • PDB 6BUV (Start-8)
    • Uniprot P9WJJ5 (9-200)
      • engineered mutation (196)
      • engineered mutation (200)
    Domains in SCOPe 2.07: d6buva_
  • Chain 'B':
    Compound: nicotinate mononucleotide adenylyltransferase NadD
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Gene: nadD, Rv2421c, MTCY428.26
    Database cross-references and differences (RAF-indexed):
    • PDB 6BUV (Start-8)
    • Uniprot P9WJJ5 (9-200)
      • engineered mutation (196)
      • engineered mutation (200)
    Domains in SCOPe 2.07: d6buvb_
  • Heterogens: E9A, NA, CL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6buvA (A:)
    gamgrrlgvmggtfdpihyghlvaasevadlfdldevvfvpsgqpwqkgrqvsaaehryl
    mtviatasnprfsvsrvdidrggptytkdtladlhalhpdselyfttgadalasimswqg
    weelfelarfvgvsrpgyelrnehitsllgqlakdaltlveipalaisstdcrqraeqsr
    plwylmpdgvvqyvskrrlyt
    

    Sequence, based on observed residues (ATOM records): (download)
    >6buvA (A:)
    rrlgvmggtfdpihyghlvaasevadlfdldevvfvpsgqpwqkgrqvsaaehrylmtvi
    atasnprfsvsrvdidrggptytkdtladlhalhpdselyfttgadalasimswqgweel
    felarfvgvsrpgtsllgqlakdaltlveipalaisstdcrqraeqsrplwylmpdgvvq
    yvskrrlyt
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6buvB (B:)
    gamgrrlgvmggtfdpihyghlvaasevadlfdldevvfvpsgqpwqkgrqvsaaehryl
    mtviatasnprfsvsrvdidrggptytkdtladlhalhpdselyfttgadalasimswqg
    weelfelarfvgvsrpgyelrnehitsllgqlakdaltlveipalaisstdcrqraeqsr
    plwylmpdgvvqyvskrrlyt
    

    Sequence, based on observed residues (ATOM records): (download)
    >6buvB (B:)
    rrlgvmggtfdpihyghlvaasevadlfdldevvfvpsgqpwqkgrqvsaaehrylmtvi
    atasnprfsvsrvdidrggptytkdtladlhalhpdselyfttgadalasimswqgweel
    felarfvgvsrpghitsllgqlakdaltlveipalaisstdcrqraeqsrplwylmpdgv
    vqyvskrrlyt