PDB entry 4muh

View 4muh on RCSB PDB site
Description: Crystal structure of pantothenate synthetase in complex with 2-(2-(5-acetamido-1,3,4-thiadiazol-2-ylsulfonylcarbamoyl)-5-methoxy-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 2013-09-21, released 2014-08-27
The last revision prior to the SCOPe 2.08 freeze date was dated 2016-11-23, with a file datestamp of 2016-11-18.
Experiment type: XRAY
Resolution: 1.72 Å
R-factor: N/A
AEROSPACI score: 0.39 (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 2.08: d4muha_
  • 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 (0-End)
      • engineered mutation (1)
    Domains in SCOPe 2.08: d4muhb_
  • Heterogens: EOH, 2DN, EDO, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4muhA (A:)
pafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpgsvvv
vsifvnpmqfgaggdldayprtpdddlaqlraegveiaftpttaamypdglrttvqpgpl
aaeleggprpthfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldvavvg
vptvreadglamssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravldaap
gvavdylelrdiglgpmplngsgrllvaarlgttrlldniaieigt

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4muhB (B:)
maipafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpgs
vvvvsifvnpmpdddlaqlraegveiaftpttaamypdglrttvqpgplaaeleggprpt
hfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldvavvgvptvreadgla
mssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravldaapgvavdylelrd
iglgpmplngsgrllvaarlgttrlldniaieig