PDB entry 4c72

View 4c72 on RCSB PDB site
Description: Crystal structure of M. tuberculosis C171Q KasA in complex with TLM5
Class: transferase
Keywords: transferase, beto-ketoacyl-acp synthase, kas enzyme, condensing enzyme, type 2 fatty acid biosynthesis, mycolic acid synthesis, thiolactomycin
Deposited on 2013-09-19, released 2013-10-09
The last revision prior to the SCOPe 2.06 freeze date was dated 2013-12-11, with a file datestamp of 2013-12-06.
Experiment type: XRAY
Resolution: 1.5 Å
R-factor: 0.13731
AEROSPACI score: 0.59 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 3-oxoacyl-[acyl-carrier-protein] synthase 1
    Species: MYCOBACTERIUM TUBERCULOSIS H37RV [TaxId:83332]
    Database cross-references and differences (RAF-indexed):
    • Uniprot I6Y8T4 (Start-438)
      • engineered mutation (193)
    Domains in SCOPe 2.06: d4c72a1, d4c72a2
  • Chain 'B':
    Compound: 3-oxoacyl-[acyl-carrier-protein] synthase 1
    Species: MYCOBACTERIUM TUBERCULOSIS H37RV [TaxId:83332]
    Database cross-references and differences (RAF-indexed):
    • Uniprot I6Y8T4 (Start-438)
      • engineered mutation (193)
    Domains in SCOPe 2.06: d4c72b1, d4c72b2
  • Heterogens: EDO, K, TLG, M7U, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4c72A (A:)
    mgsshhhhhhssglvprgshmasmsqpstanggfpsvvvtavtattsispdiestwkgll
    agesgihaledefvtkwdlavkigghlkdpvdshmgrldmrrmsyvqrmgkllggqlwes
    agspevdpdrfavvvgtglggaerivesydlmnaggprkvsplavqmimpngaaaviglq
    lgaragvmtpvsaqssgseaiahawrqivmgdadvavcggvegpiealpiaafsmmrams
    trndeperasrpfdkdrdgfvfgeagalmlieteehakargakplarllgagitsdafhm
    vapaadgvragramtrslelaglspadidhvnahgtatpigdaaeanairvagcdqaavy
    apksalghsigavgalesvltvltlrdgvipptlnyetpdpeidldvvageprygdyrya
    vnnsfgfgghnvalafgry
    

    Sequence, based on observed residues (ATOM records): (download)
    >4c72A (A:)
    pstanggfpsvvvtavtattsispdiestwkgllagesgihaledefvtkwdlavkiggh
    lkdpvdshmgrldmrrmsyvqrmgkllggqlwesagspevdpdrfavvvgtglggaeriv
    esydlmnaggprkvsplavqmimpngaaaviglqlgaragvmtpvsaqssgseaiahawr
    qivmgdadvavcggvegpiealpiaafsmmramstrndeperasrpfdkdrdgfvfgeag
    almlieteehakargakplarllgagitsdafhmvapaadgvragramtrslelaglspa
    didhvnahgtatpigdaaeanairvagcdqaavyapksalghsigavgalesvltvltlr
    dgvipptlnyetpdpeidldvvageprygdyryavnnsfgfgghnvalafgry
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4c72B (B:)
    mgsshhhhhhssglvprgshmasmsqpstanggfpsvvvtavtattsispdiestwkgll
    agesgihaledefvtkwdlavkigghlkdpvdshmgrldmrrmsyvqrmgkllggqlwes
    agspevdpdrfavvvgtglggaerivesydlmnaggprkvsplavqmimpngaaaviglq
    lgaragvmtpvsaqssgseaiahawrqivmgdadvavcggvegpiealpiaafsmmrams
    trndeperasrpfdkdrdgfvfgeagalmlieteehakargakplarllgagitsdafhm
    vapaadgvragramtrslelaglspadidhvnahgtatpigdaaeanairvagcdqaavy
    apksalghsigavgalesvltvltlrdgvipptlnyetpdpeidldvvageprygdyrya
    vnnsfgfgghnvalafgry
    

    Sequence, based on observed residues (ATOM records): (download)
    >4c72B (B:)
    pstanggfpsvvvtavtattsispdiestwkgllagesgihaledefvtkwdlavkiggh
    lkdpvdshmgrldmrrmsyvqrmgkllggqlwesagspevdpdrfavvvgtglggaeriv
    esydlmnaggprkvsplavqmimpngaaaviglqlgaragvmtpvsaqssgseaiahawr
    qivmgdadvavcggvegpiealpiaafsmmramstrndeperasrpfdkdrdgfvfgeag
    almlieteehakargakplarllgagitsdafhmvapaadgvragramtrslelaglspa
    didhvnahgtatpigdaaeanairvagcdqaavyapksalghsigavgalesvltvltlr
    dgvipptlnyetpdpeidldvvageprygdyryavnnsfgfgghnvalafgry