PDB entry 3iod

View 3iod on RCSB PDB site
Description: Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.75 Ang resolution in complex with 5'-deoxy-5'-((3-nitrobenzyl)disulfanyl)-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 2.01 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-25.
Experiment type: XRAY
Resolution: 1.75 Å
R-factor: 0.17
AEROSPACI score: 0.55 (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): Domains in SCOPe 2.01: d3ioda_
  • 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 2.01: d3iodb_
  • Heterogens: A6D, SO4, GOL, EOH, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >3iodA (A:)
pafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpgsvvv
vsifvnpmqfldayprtpdddlaqlraegveiaftpttaamypdglrttvqpgplaaele
ggprpthfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldvavvgvptvr
eadglamssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravldaapgvavd
ylelrdiglgngsgrllvaarlgttrlldniaieig

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

    Sequence, based on observed residues (ATOM records): (download) 
    >3iodB (B:)
aipafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpgsv
vvvsifvnppdddlaqlraegveiaftpttaamypdglrttvqpgplaaeleggprpthf
agvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldvavvgvptvreadglams
srnryldpaqraaavalsaaltaaahaatagaqaaldaaravldaapgvavdylelrdig
lgpmplngsgrllvaarlgttrlldniaieig