PDB entry 2qny

View 2qny on RCSB PDB site
Description: Crystal structure of the complex between the A246F mutant of mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and SS-(2-hydroxyethyl) O-decyl ester carbono(dithioperoxoic) acid
Class: transferase
Keywords: FATTY ACID BIOSYNTHESIS, MYOBACTERIUM TUBERCULOSIS, STRUCTURAL BASIS FOR SUBSTRATE SPECIFICITY, ENZYME INHIBITOR COMPLEX, MECHANISM BASED INHIBITOR, Acyltransferase, Lipid synthesis, Multifunctional enzyme, Transferase
Deposited on 2007-07-19, released 2008-05-06
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-10-25, with a file datestamp of 2017-10-20.
Experiment type: XRAY
Resolution: 2.15 Å
R-factor: N/A
AEROSPACI score: 0.27 (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):
    • Uniprot P0A574
      • engineered (259)
    Domains in SCOPe 2.07: d2qnya1, d2qnya2
  • Chain 'B':
    Compound: 3-oxoacyl-[acyl-carrier-protein] synthase 3
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: fabH
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A574 (0-End)
      • engineered (259)
    Domains in SCOPe 2.07: d2qnyb1, d2qnyb2
  • Heterogens: DFD, BME, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >2qnyA (A:)
    teiattsgarsvgllsvgayrpervvtndeicqssdewiytrtgiktrrfaaddesaasm
    ateacrralsnaglsaadidgvivttnthflqtppaapmvaaslgakgilgfdlsagcag
    fgyalgaaadmirgggaatmlvvgteklsptidmydrgncfifadgaaavvvgetpfqgi
    gptvagsdgeqadairqdidwitfaqnpsgprpfvrlegpavfrwaafkmgdvgrramda
    agvrpdqidvfvphqfnsrinellvknlqlrpdavvandiehtgntsaasiplamaellt
    tgaakpgdlalligygaglsyaaqvvrmpk
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >2qnyB (B:)
    mteiattsgarsvgllsvgayrpervvtndeicsdewiytrtgiktrrfaaddesaasma
    teacrralsnaglsaadidgvivttnthflqtppaapmvaaslgakgilgfdlsagcagf
    gyalgaaadmirgggaatmlvvgteklsptidmydrgncfifadgaaavvvgetpfqgig
    ptvagsdgeqadairqdidwitfaqnpsgprpfvrlegpavfrwaafkmgdvgrramdaa
    gvrpdqidvfvphqfnsrinellvknlqlrpdavvandiehtgntsaasiplamaelltt
    gaakpgdlalligygaglsyaaqvvrmpk