PDB entry 3iub

View 3iub on RCSB PDB site
Description: Crystal structure of pantothenate synthetase from Mycobacterium tuberculosis in complex with 5-Methoxy-N-(5-methylpyridin-2-ylsulfonyl)-1H-indole-2-carboxamide
Class: Ligase
Keywords: pantothenate synthetase,mycobacterium tuberculosis, fragment-based lead discovery, ATP-binding, Cytoplasm, Ligase, Magnesium, Metal-binding, Nucleotide-binding, Pantothenate biosynthesis
Deposited on 2009-08-31, released 2009-10-13
The last revision prior to the SCOPe 2.08 freeze date was dated 2009-11-10, with a file datestamp of 2009-11-06.
Experiment type: XRAY
Resolution: 1.5 Å
R-factor: 0.179
AEROSPACI score: 0.63 (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 (76)
    Domains in SCOPe 2.08: d3iuba_
  • 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 (1)
    Domains in SCOPe 2.08: d3iubb_
  • Heterogens: EOH, EDO, FG2, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3iubA (A:)
maipafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpgs
vvvvsifvnpmqfgaggdldayprtpdddlaqlraegveiaftpttaamypdglrttvqp
gplaaeleggprpthfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldva
vvgvptvreadglamssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravld
aapgvavdylelrdiglgpmplngsgrllvaarlgttrlldniaieigtfagtdrpdgyr
a

    Sequence, based on observed residues (ATOM records): (download) 
    >3iubA (A:)
pafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpgsvvv
vsifvnpmqfgaggdldayprtpdddlaqlraegveiaftpttaamypdglrttvqpgpl
aaeleggprpthfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldvavvg
vptvreadglamssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravldaap
gvavdylelrdiglgpmplngsgrllvaarlgttrlldniaieigt

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3iubB (B:)
maipafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpgs
vvvvsifvnpmqfgaggdldayprtpdddlaqlraegveiaftpttaamypdglrttvqp
gplaaeleggprpthfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldva
vvgvptvreadglamssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravld
aapgvavdylelrdiglgpmplngsgrllvaarlgttrlldniaieigtfagtdrpdgyr
a

    Sequence, based on observed residues (ATOM records): (download) 
    >3iubB (B:)
maipafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpgs
vvvvsifvnpmqprtpdddlaqlraegveiaftpttaamypdglrttvqpgplaaelegg
prpthfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldvavvgvptvrea
dglamssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravldaapgvavdyl
elrdiglgpmplngsgrllvaarlgttrlldniaieig