PDB entry 4mq6

View 4mq6 on RCSB PDB site
Description: Pantothenate synthase in complex with 2-(5-methoxy-2-(tosylcarbamoyl)-1H-indol-1-yl)acetic acid
Class: Ligase/Ligase inhibitor
Keywords: Alpha Beta 3-Layer(aba) Sandwich Rossmann fold, Pantoate-ligase, ATP binding, Ligase, Ligase-Ligase inhibitor complex
Deposited on 2013-09-15, released 2014-08-27
The last revision prior to the SCOPe 2.08 freeze date was dated 2018-08-29, with a file datestamp of 2018-08-24.
Experiment type: XRAY
Resolution: 1.7 Å
R-factor: N/A
AEROSPACI score: 0.4 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Pantothenate synthetase
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A5R0
      • engineered mutation (76)
    Domains in SCOPe 2.08: d4mq6a_
  • Chain 'B':
    Compound: Pantothenate synthetase
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A5R0 (0-End)
      • engineered mutation (1)
    Domains in SCOPe 2.08: d4mq6b_
  • Heterogens: EOH, 29W, EDO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4mq6A (A:)
    maipafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpgs
    vvvvsifvnpmqfgaggdldayprtpdddlaqlraegveiaftpttaamypdglrttvqp
    gplaaeleggprpthfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldva
    vvgvptvreadglamssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravld
    aapgvavdylelrdiglgpmplngsgrllvaarlgttrlldniaieigtfagtdrpdgyr
    aileshwrn
    

    Sequence, based on observed residues (ATOM records): (download)
    >4mq6A (A:)
    ipafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpgsvv
    vvsifvnpmqfgaggdldayprtpdddlaqlraegveiaftpttaamypdglrttvqpgp
    laaeleggprpthfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldvavv
    gvptvreadglamssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravldaa
    pgvavdylelrdiglgpmplngsgrllvaarlgttrlldniaieigtfa
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4mq6B (B:)
    maipafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpgs
    vvvvsifvnpmqfgaggdldayprtpdddlaqlraegveiaftpttaamypdglrttvqp
    gplaaeleggprpthfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldva
    vvgvptvreadglamssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravld
    aapgvavdylelrdiglgpmplngsgrllvaarlgttrlldniaieigtfagtdrpdgyr
    aileshwrn
    

    Sequence, based on observed residues (ATOM records): (download)
    >4mq6B (B:)
    maipafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpgs
    vvvvsifvnppdddlaqlraegveiaftpttaamypdglrttvqpgplaaeleggprpth
    fagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldvavvgvptvreadglam
    ssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravldaapgvavdylelrdi
    glgpmplngsgrllvaarlgttrlldniaieig