PDB entry 4g5f

View 4g5f on RCSB PDB site
Description: Pantothenate synthetase in complex with racemate (2S)-2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBOXYLIC ACID and (2R)-2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBOXYLIC ACID
Class: Ligase/Ligase inhibitor
Keywords: Alpha Beta 3-Layer(aba) Sandwich Rossmann fold, Ligase, ATP binding Pantoate binding beta-Alanine binding, Ligase-Ligase inhibitor complex
Deposited on 2012-07-17, released 2013-07-17
The last revision prior to the SCOPe 2.08 freeze date was dated 2013-09-04, with a file datestamp of 2013-08-30.
Experiment type: XRAY
Resolution: 2.33 Å
R-factor: 0.174
AEROSPACI score: 0.38 (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): Domains in SCOPe 2.08: d4g5fa_
  • 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 2.08: d4g5fb_
  • Heterogens: GOL, 0JD, 15N, EDO, EOH, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4g5fA (A:)
maipafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpgs
vvvvsifvnpmqfgaggdldayprtpdddlaqlraegveiaftpttaamypdglrttvqp
gplaaeleggprpthfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldva
vvgvptvreadglamssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravld
aapgvavdylelrdiglgpmplngsgrllvaarlgttrlldniaieigtfagtdrpdgyr
aileshwrn

    Sequence, based on observed residues (ATOM records): (download) 
    >4g5fA (A:)
pafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpgsvvv
vsifvnpmqfdldayprtpdddlaqlraegveiaftpttaamypdglrttvqpgplaael
eggprpthfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldvavvgvptv
readglamssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravldaapgvav
dylelrdiglgpmplngsgrllvaarlgttrlldniaieigt

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4g5fB (B:)
maipafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpgs
vvvvsifvnpmqfgaggdldayprtpdddlaqlraegveiaftpttaamypdglrttvqp
gplaaeleggprpthfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldva
vvgvptvreadglamssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravld
aapgvavdylelrdiglgpmplngsgrllvaarlgttrlldniaieigtfagtdrpdgyr
aileshwrn

    Sequence, based on observed residues (ATOM records): (download) 
    >4g5fB (B:)
aipafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpgsv
vvvsifvnppdddlaqlraegveiaftpttaamypdglrttvqpgplaaeleggprpthf
agvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldvavvgvptvreadglams
srnryldpaqraaavalsaaltaaahaatagaqaaldaaravldaapgvavdylelrdig
lgpmplngsgrllvaarlgttrlldniaieig