PDB entry 3imc

View 3imc on RCSB PDB site
Description: Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.6 Ang resolution in complex with fragment compound 5-methoxyindole, sulfate and glycerol
Class: Ligase
Keywords: Mycobacterium tuberculosis, pantothenate biosynthesis, enzymes, ligase, drug design, fragment-based,, ATP-binding, Magnesium, Metal-binding, Nucleotide-binding
Deposited on 2009-08-10, released 2009-10-13
The last revision prior to the SCOPe 2.04 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-25.
Experiment type: XRAY
Resolution: 1.6 Å
R-factor: 0.17
AEROSPACI score: 0.6 (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 2.04: d3imca_
  • 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 2.04: d3imcb_
  • Heterogens: BZ3, SO4, GOL, EOH, HOH

PDB Chain Sequences:

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

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

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

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