PDB entry 3ioe

View 3ioe on RCSB PDB site
Description: Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.95 Ang resolution in complex with 5'-deoxy-5'-((R)-3,4-dihydroxybutylthio)-adenosine
Class: ligase
Keywords: Mycobacterium tuberculosis, pantothenate biosynthesis, enzymes, ligase, inhibitors, drug design, fragment-based, dynamic combinatorial chemistry, ATP-binding, Magnesium, Metal-binding, Nucleotide-binding
Deposited on 2009-08-14, released 2009-12-01
The last revision prior to the SCOPe 2.08 freeze date was dated 2017-11-01, with a file datestamp of 2017-10-27.
Experiment type: XRAY
Resolution: 1.95 Å
R-factor: N/A
AEROSPACI score: 0.32 (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 (77)
    Domains in SCOPe 2.08: d3ioea_
  • 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 (2)
    Domains in SCOPe 2.08: d3ioeb_
  • Heterogens: A7D, GOL, SO4, EOH, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3ioeA (A:)
    amaipafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpg
    svvvvsifvnpmqfgaggdldayprtpdddlaqlraegveiaftpttaamypdglrttvq
    pgplaaeleggprpthfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldv
    avvgvptvreadglamssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravl
    daapgvavdylelrdiglgpmplngsgrllvaarlgttrlldniaieigtfagtdrpdgy
    r
    

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

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3ioeB (B:)
    amaipafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpg
    svvvvsifvnpmqfgaggdldayprtpdddlaqlraegveiaftpttaamypdglrttvq
    pgplaaeleggprpthfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldv
    avvgvptvreadglamssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravl
    daapgvavdylelrdiglgpmplngsgrllvaarlgttrlldniaieigtfagtdrpdgy
    r
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ioeB (B:)
    aipafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpgsv
    vvvsifvnpmqfayprtpdddlaqlraegveiaftpttaamypdglrttvqpgplaaele
    ggprpthfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldvavvgvptvr
    eadglamssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravldaapgvavd
    ylelrdiglgpmplngsgrllvaarlgttrlldniaieig