PDB entry 3le8

View 3le8 on RCSB PDB site
Description: Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.70 Angstrom resolution in complex with 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid
Class: ligase
Keywords: Fragment-based drug discovery, ILOE, fragment linking, ATP-binding, Cytoplasm, Ligase, Magnesium, Metal-binding, Nucleotide-binding, Pantothenate biosynthesis
Deposited on 2010-01-14, released 2010-04-14
The last revision prior to the SCOPe 2.01 freeze date was dated 2010-04-14, with a file datestamp of 2010-04-09.
Experiment type: XRAY
Resolution: 1.7 Å
R-factor: 0.175
AEROSPACI score: 0.55 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Pantothenate synthetase
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Gene: MT3707, MTCY07H7B.20, panC, Rv3602c
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A5R0
      • engineered (76)
    Domains in SCOPe 2.01: d3le8a_
  • Chain 'B':
    Compound: Pantothenate synthetase
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Gene: MT3707, MTCY07H7B.20, panC, Rv3602c
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A5R0 (0-End)
      • engineered (1)
    Domains in SCOPe 2.01: d3le8b_
  • Heterogens: 2B5, EDO, GOL, EOH, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3le8A (A:)
maipafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpgs
vvvvsifvnpmqfgaggdldayprtpdddlaqlraegveiaftpttaamypdglrttvqp
gplaaeleggprpthfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldva
vvgvptvreadglamssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravld
aapgvavdylelrdiglgpmplngsgrllvaarlgttrlldniaieigtfagtdrpdgyr

    Sequence, based on observed residues (ATOM records): (download) 
    >3le8A (A:)
ipafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpgsvv
vvsifvnpmqfgaggdldayprtpdddlaqlraegveiaftpttaamypdglrttvqpgp
laaeleggprpthfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldvavv
gvptvreadglamssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravldaa
pgvavdylelrdiglgpmplngsgrllvaarlgttrlldniaieigtf

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3le8B (B:)
maipafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpgs
vvvvsifvnpmqfgaggdldayprtpdddlaqlraegveiaftpttaamypdglrttvqp
gplaaeleggprpthfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldva
vvgvptvreadglamssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravld
aapgvavdylelrdiglgpmplngsgrllvaarlgttrlldniaieigtfagtdrpdgyr

    Sequence, based on observed residues (ATOM records): (download) 
    >3le8B (B:)
maipafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpgs
vvvvsifvnpmrtpdddlaqlraegveiaftpttaamypdglrttvqpgplaaeleggpr
pthfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldvavvgvptvreadg
lamssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravldaapgvavdylel
rdiglgpmplngsgrllvaarlgttrlldniaieig