PDB entry 3ivg

View 3ivg on RCSB PDB site
Description: Crystal structure of pantothenate synthetase in complex with 2-(2-((benzofuran-2-sulfonamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid
Class: ligase
Keywords: Mycobacterium tuberculosis, pantothenate synthetase, fragment-based lead discovery, ATP-binding, Ligase, Magnesium, Metal-binding, Nucleotide-binding, Pantothenate biosynthesis
Deposited on 2009-09-01, released 2009-10-13
The last revision prior to the SCOPe 2.07 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-25.
Experiment type: XRAY
Resolution: 1.95 Å
R-factor: 0.175
AEROSPACI score: 0.48 (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 2.07: d3ivga_
  • 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 (1)
    Domains in SCOPe 2.07: d3ivgb_
  • Heterogens: GOL, EOH, EDO, FG5, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >3ivgA (A:)
ipafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpgsvv
vvsifvnpmqfgaggdldayprtpdddlaqlraegveiaftpttaamypdglrttvqpgp
laaeleggprpthfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldvavv
gvptvreadglamssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravldaa
pgvavdylelrdiglgpmplngsgrllvaarlgttrlldniaieigt

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

    Sequence, based on observed residues (ATOM records): (download) 
    >3ivgB (B:)
aipafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpgsv
vvvsifvnpmqtpdddlaqlraegveiaftpttaamypdglrttvqpgplaaeleggprp
thfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldvavvgvptvreadgl
amssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravldaapgvavdylelr
diglgpmplngsgrllvaarlgttrlldniaieig