PDB entry 4mun

View 4mun on RCSB PDB site
Description: Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(2-nitro-4-(trifluoromethyl)phenylsulfonylcarbamoyl)-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 inhibitor complex
Deposited on 2013-09-22, released 2014-08-27
The last revision prior to the SCOPe 2.07 freeze date was dated 2016-11-23, with a file datestamp of 2016-11-18.
Experiment type: XRAY
Resolution: 1.57 Å
R-factor: N/A
AEROSPACI score: 0.45 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Pantothenate synthetase
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: MT3707, MTCY07H7B.20, panC, Rv3602c
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A5R0
      • engineered mutation (76)
    Domains in SCOPe 2.07: d4muna_
  • Chain 'B':
    Compound: Pantothenate synthetase
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: MT3707, MTCY07H7B.20, panC, Rv3602c
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A5R0
      • engineered mutation (1)
    Domains in SCOPe 2.07: d4munb_
  • Heterogens: EOH, 2DZ, EDO, GOL, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >4munA (A:)
    pafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpgsvvv
    vsifvnpmqfgdldayprtpdddlaqlraegveiaftpttaamypdglrttvqpgplaae
    leggprpthfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldvavvgvpt
    vreadglamssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravldaapgva
    vdylelrdiglgpmplngsgrllvaarlgttrlldniaieigt
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >4munB (B:)
    aipafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpgsv
    vvvsifvnptpdddlaqlraegveiaftpttaamypdglrttvqpgplaaeleggprpth
    fagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldvavvgvptvreadglam
    ssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravldaapgvavdylelrdi
    glgpmplngsgrllvaarlgttrlldniaiei