PDB entry 2qo1

View 2qo1 on RCSB PDB site
Description: 2.6 Angstrom Crystal Structure of the Complex Between 11-(decyldithiocarbonyloxy)-undecanoic acid and Mycobacterium Tuberculosis FabH.
Class: transferase
Keywords: FATTY ACID BIOSYNTHESIS, MYOBACTERIUM TUBERCULOSIS, STRUCTURAL BASIS FOR SUBSTRATE SPECIFICITY, ENZYME INHIBITOR COMPLEX, MECHANISM BASED INHIBITOR, SUBSTRATE ENTRY AND EXIT, Acyltransferase, Lipid synthesis, Multifunctional enzyme, Transferase
Deposited on 2007-07-19, released 2008-05-06
The last revision prior to the SCOPe 2.05 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-08.
Experiment type: XRAY
Resolution: 2.6 Å
R-factor: 0.229
AEROSPACI score: 0.26 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 3-oxoacyl-[acyl-carrier-protein] synthase 3
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: fabH
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d2qo1a1, d2qo1a2
  • Chain 'B':
    Compound: 3-oxoacyl-[acyl-carrier-protein] synthase 3
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: fabH
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d2qo1b1, d2qo1b2
  • Heterogens: VZZ, D1T, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >2qo1A (A:)
    mteiattsgarsvgllsvgayrpervvtndeicqhidssdewiytrtgiktrrfaaddes
    aasmateacrralsnaglsaadidgvivttnthflqtppaapmvaaslgakgilgfdlsa
    gcagfgyalgaaadmirgggaatmlvvgteklsptidmydrgncfifadgaaavvvgetp
    fqgigptvagsdgeqadairqdidwitfaqnpsgprpfvrlegpavfrwaafkmgdvgrr
    amdaagvrpdqidvfvphqansrinellvknlqlrpdavvandiehtgntsaasiplama
    ellttgaakpgdlalligygaglsyaaqvvrmpkg
    

    Sequence, based on observed residues (ATOM records): (download)
    >2qo1A (A:)
    mteiattsgarsvgllsvgayrpervvtndeicqhidssdewiytrtgiktrrfaaddes
    aasmateacrralsnaglsaadidgvivttnthflqtppaapmvaaslgakgilgfdlsa
    gcagfgyalgaaadmirgggaatmlvvgteklsptidmydrgncfifadgaaavvvgetp
    fqgigptvagsdgeqadairqdidwitfaqnpsgprpfvrlegpavfrwaafkmgdvgrr
    amdaagvrpdqidvfvphqansrinellvknlqlrpdavvandiehtgntsaasiplama
    ellttgaakpgdlalligygaglsyaaqvvrmpk
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >2qo1B (B:)
    mteiattsgarsvgllsvgayrpervvtndeicqhidssdewiytrtgiktrrfaaddes
    aasmateacrralsnaglsaadidgvivttnthflqtppaapmvaaslgakgilgfdlsa
    gcagfgyalgaaadmirgggaatmlvvgteklsptidmydrgncfifadgaaavvvgetp
    fqgigptvagsdgeqadairqdidwitfaqnpsgprpfvrlegpavfrwaafkmgdvgrr
    amdaagvrpdqidvfvphqansrinellvknlqlrpdavvandiehtgntsaasiplama
    ellttgaakpgdlalligygaglsyaaqvvrmpkg
    

    Sequence, based on observed residues (ATOM records): (download)
    >2qo1B (B:)
    mteiattsgarsvgllsvgayrpervvtndeicqhidssdewiytrtgiktrrfaaddes
    aasmateacrralsnaglsaadidgvivttnthflqtppaapmvaaslgakgilgfdlsa
    gcagfgyalgaaadmirgggaatmlvvgteklsptidmydrgncfifadgaaavvvgetp
    fqgigptvagsdgeqadairqdidwitfaqnpsgprpfvrlegpavfrwaafkmgdvgrr
    amdaagvrpdqidvfvphqansrinellvknlqlrpdavvandiehtgntsaasiplama
    ellttgaakpgdlalligygaglsyaaqvvrmpk