PDB entry 2wgg

View 2wgg on RCSB PDB site
Description: Crystal Structure of Mycobacterium tuberculosis C171Q KasA variant with bound TLM
Class: transferase
Keywords: beta ketoacyl synthase I, transferase, acyltransferase, lipid synthesis, fatty acid biosynthesis
Deposited on 2009-04-17, released 2009-07-21
The last revision prior to the SCOPe 2.07 freeze date was dated 2012-04-11, with a file datestamp of 2012-04-06.
Experiment type: XRAY
Resolution: 2 Å
R-factor: 0.139
AEROSPACI score: 0.49 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 3-oxoacyl-[acyl-carrier-protein] synthase 1
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P63454 (Start-415)
      • engineered mutation (170)
    Domains in SCOPe 2.07: d2wgga1, d2wgga2
  • Chain 'B':
    Compound: 3-oxoacyl-[acyl-carrier-protein] synthase 1
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P63454 (Start-415)
      • engineered mutation (170)
    Domains in SCOPe 2.07: d2wggb1, d2wggb2
  • Chain 'C':
    Compound: 3-oxoacyl-[acyl-carrier-protein] synthase 1
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P63454 (Start-415)
      • engineered mutation (170)
    Domains in SCOPe 2.07: d2wggc1, d2wggc2
  • Chain 'D':
    Compound: 3-oxoacyl-[acyl-carrier-protein] synthase 1
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P63454 (Start-415)
      • engineered mutation (170)
    Domains in SCOPe 2.07: d2wggd1, d2wggd2
  • Chain 'E':
    Compound: 3-oxoacyl-[acyl-carrier-protein] synthase 1
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P63454 (Start-415)
      • engineered mutation (170)
    Domains in SCOPe 2.07: d2wgge1, d2wgge2
  • Chain 'F':
    Compound: 3-oxoacyl-[acyl-carrier-protein] synthase 1
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P63454 (Start-415)
      • engineered mutation (170)
    Domains in SCOPe 2.07: d2wggf1, d2wggf2
  • Chain 'G':
    Compound: 3-oxoacyl-[acyl-carrier-protein] synthase 1
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P63454 (Start-415)
      • engineered mutation (170)
    Domains in SCOPe 2.07: d2wggg1, d2wggg2
  • Chain 'H':
    Compound: 3-oxoacyl-[acyl-carrier-protein] synthase 1
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P63454 (Start-415)
      • engineered mutation (170)
    Domains in SCOPe 2.07: d2wggh1, d2wggh2
  • Heterogens: TLM, NA, 2PE, PEG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >2wggA (A:)
    msqpstanggfpsvvvtavtattsispdiestwkgllagesgihaledefvtkwdlavki
    gghlkdpvdshmgrldmrrmsyvqrmgkllggqlwesagspevdpdrfavvvgtglggae
    rivesydlmnaggprkvsplavqmimpngaaaviglqlgaragvmtpvsaqssgseaiah
    awrqivmgdadvavcggvegpiealpiaafsmmramstrndeperasrpfdkdrdgfvfg
    eagalmlieteehakargakplarllgagitsdafhmvapaadgvragramtrslelagl
    spadidhvnahgtatpigdaaeanairvagcdqaavyapksalghsigavgalesvltvl
    tlrdgvipptlnyetpdpeidldvvageprygdyryavnnsfgfgghnvalafgry
    

    Sequence, based on observed residues (ATOM records): (download)
    >2wggA (A:)
    sqpstanggfpsvvvtavtattsispdiestwkgllagesgihaledefvtkwdlavkig
    ghlkdpvdshmgrldmrrmsyvqrmgkllggqlwesagspevdpdrfavvvgtglggaer
    ivesydlmnaggprkvsplavqmimpngaaaviglqlgaragvmtpvsaqssgseaiaha
    wrqivmgdadvavcggvegpiealpiaafsmmramstrndeperasrpfdkdrdgfvfge
    agalmlieteehakargakplarllgagitsdafhmvapaadgvragramtrslelagls
    padidhvnahgtatpigdaaeanairvagcdqaavyapksalghsigavgalesvltvlt
    lrdgvipptlnyetpdpeidldvvageprygdyryavnnsfgfgghnvalafgry
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >2wggB (B:)
    msqpstanggfpsvvvtavtattsispdiestwkgllagesgihaledefvtkwdlavki
    gghlkdpvdshmgrldmrrmsyvqrmgkllggqlwesagspevdpdrfavvvgtglggae
    rivesydlmnaggprkvsplavqmimpngaaaviglqlgaragvmtpvsaqssgseaiah
    awrqivmgdadvavcggvegpiealpiaafsmmramstrndeperasrpfdkdrdgfvfg
    eagalmlieteehakargakplarllgagitsdafhmvapaadgvragramtrslelagl
    spadidhvnahgtatpigdaaeanairvagcdqaavyapksalghsigavgalesvltvl
    tlrdgvipptlnyetpdpeidldvvageprygdyryavnnsfgfgghnvalafgry
    

    Sequence, based on observed residues (ATOM records): (download)
    >2wggB (B:)
    sqpstanggfpsvvvtavtattsispdiestwkgllagesgihaledefvtkwdlavkig
    ghlkdpvdshmgrldmrrmsyvqrmgkllggqlwesagspevdpdrfavvvgtglggaer
    ivesydlmnaggprkvsplavqmimpngaaaviglqlgaragvmtpvsaqssgseaiaha
    wrqivmgdadvavcggvegpiealpiaafsmmramstrndeperasrpfdkdrdgfvfge
    agalmlieteehakargakplarllgagitsdafhmvapaadgvragramtrslelagls
    padidhvnahgtatpigdaaeanairvagcdqaavyapksalghsigavgalesvltvlt
    lrdgvipptlnyetpdpeidldvvageprygdyryavnnsfgfgghnvalafgry
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >2wggC (C:)
    msqpstanggfpsvvvtavtattsispdiestwkgllagesgihaledefvtkwdlavki
    gghlkdpvdshmgrldmrrmsyvqrmgkllggqlwesagspevdpdrfavvvgtglggae
    rivesydlmnaggprkvsplavqmimpngaaaviglqlgaragvmtpvsaqssgseaiah
    awrqivmgdadvavcggvegpiealpiaafsmmramstrndeperasrpfdkdrdgfvfg
    eagalmlieteehakargakplarllgagitsdafhmvapaadgvragramtrslelagl
    spadidhvnahgtatpigdaaeanairvagcdqaavyapksalghsigavgalesvltvl
    tlrdgvipptlnyetpdpeidldvvageprygdyryavnnsfgfgghnvalafgry
    

    Sequence, based on observed residues (ATOM records): (download)
    >2wggC (C:)
    sqpstanggfpsvvvtavtattsispdiestwkgllagesgihaledefvtkwdlavkig
    ghlkdpvdshmgrldmrrmsyvqrmgkllggqlwesagspevdpdrfavvvgtglggaer
    ivesydlmnaggprkvsplavqmimpngaaaviglqlgaragvmtpvsaqssgseaiaha
    wrqivmgdadvavcggvegpiealpiaafsmmramstrndeperasrpfdkdrdgfvfge
    agalmlieteehakargakplarllgagitsdafhmvapaadgvragramtrslelagls
    padidhvnahgtatpigdaaeanairvagcdqaavyapksalghsigavgalesvltvlt
    lrdgvipptlnyetpdpeidldvvageprygdyryavnnsfgfgghnvalafgry
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >2wggD (D:)
    msqpstanggfpsvvvtavtattsispdiestwkgllagesgihaledefvtkwdlavki
    gghlkdpvdshmgrldmrrmsyvqrmgkllggqlwesagspevdpdrfavvvgtglggae
    rivesydlmnaggprkvsplavqmimpngaaaviglqlgaragvmtpvsaqssgseaiah
    awrqivmgdadvavcggvegpiealpiaafsmmramstrndeperasrpfdkdrdgfvfg
    eagalmlieteehakargakplarllgagitsdafhmvapaadgvragramtrslelagl
    spadidhvnahgtatpigdaaeanairvagcdqaavyapksalghsigavgalesvltvl
    tlrdgvipptlnyetpdpeidldvvageprygdyryavnnsfgfgghnvalafgry
    

    Sequence, based on observed residues (ATOM records): (download)
    >2wggD (D:)
    sqpstanggfpsvvvtavtattsispdiestwkgllagesgihaledefvtkwdlavkig
    ghlkdpvdshmgrldmrrmsyvqrmgkllggqlwesagspevdpdrfavvvgtglggaer
    ivesydlmnaggprkvsplavqmimpngaaaviglqlgaragvmtpvsaqssgseaiaha
    wrqivmgdadvavcggvegpiealpiaafsmmramstrndeperasrpfdkdrdgfvfge
    agalmlieteehakargakplarllgagitsdafhmvapaadgvragramtrslelagls
    padidhvnahgtatpigdaaeanairvagcdqaavyapksalghsigavgalesvltvlt
    lrdgvipptlnyetpdpeidldvvageprygdyryavnnsfgfgghnvalafgry
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >2wggE (E:)
    msqpstanggfpsvvvtavtattsispdiestwkgllagesgihaledefvtkwdlavki
    gghlkdpvdshmgrldmrrmsyvqrmgkllggqlwesagspevdpdrfavvvgtglggae
    rivesydlmnaggprkvsplavqmimpngaaaviglqlgaragvmtpvsaqssgseaiah
    awrqivmgdadvavcggvegpiealpiaafsmmramstrndeperasrpfdkdrdgfvfg
    eagalmlieteehakargakplarllgagitsdafhmvapaadgvragramtrslelagl
    spadidhvnahgtatpigdaaeanairvagcdqaavyapksalghsigavgalesvltvl
    tlrdgvipptlnyetpdpeidldvvageprygdyryavnnsfgfgghnvalafgry
    

    Sequence, based on observed residues (ATOM records): (download)
    >2wggE (E:)
    sqpstanggfpsvvvtavtattsispdiestwkgllagesgihaledefvtkwdlavkig
    ghlkdpvdshmgrldmrrmsyvqrmgkllggqlwesagspevdpdrfavvvgtglggaer
    ivesydlmnaggprkvsplavqmimpngaaaviglqlgaragvmtpvsaqssgseaiaha
    wrqivmgdadvavcggvegpiealpiaafsmmramstrndeperasrpfdkdrdgfvfge
    agalmlieteehakargakplarllgagitsdafhmvapaadgvragramtrslelagls
    padidhvnahgtatpigdaaeanairvagcdqaavyapksalghsigavgalesvltvlt
    lrdgvipptlnyetpdpeidldvvageprygdyryavnnsfgfgghnvalafgry
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >2wggF (F:)
    msqpstanggfpsvvvtavtattsispdiestwkgllagesgihaledefvtkwdlavki
    gghlkdpvdshmgrldmrrmsyvqrmgkllggqlwesagspevdpdrfavvvgtglggae
    rivesydlmnaggprkvsplavqmimpngaaaviglqlgaragvmtpvsaqssgseaiah
    awrqivmgdadvavcggvegpiealpiaafsmmramstrndeperasrpfdkdrdgfvfg
    eagalmlieteehakargakplarllgagitsdafhmvapaadgvragramtrslelagl
    spadidhvnahgtatpigdaaeanairvagcdqaavyapksalghsigavgalesvltvl
    tlrdgvipptlnyetpdpeidldvvageprygdyryavnnsfgfgghnvalafgry
    

    Sequence, based on observed residues (ATOM records): (download)
    >2wggF (F:)
    sqpstanggfpsvvvtavtattsispdiestwkgllagesgihaledefvtkwdlavkig
    ghlkdpvdshmgrldmrrmsyvqrmgkllggqlwesagspevdpdrfavvvgtglggaer
    ivesydlmnaggprkvsplavqmimpngaaaviglqlgaragvmtpvsaqssgseaiaha
    wrqivmgdadvavcggvegpiealpiaafsmmramstrndeperasrpfdkdrdgfvfge
    agalmlieteehakargakplarllgagitsdafhmvapaadgvragramtrslelagls
    padidhvnahgtatpigdaaeanairvagcdqaavyapksalghsigavgalesvltvlt
    lrdgvipptlnyetpdpeidldvvageprygdyryavnnsfgfgghnvalafgry
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >2wggG (G:)
    msqpstanggfpsvvvtavtattsispdiestwkgllagesgihaledefvtkwdlavki
    gghlkdpvdshmgrldmrrmsyvqrmgkllggqlwesagspevdpdrfavvvgtglggae
    rivesydlmnaggprkvsplavqmimpngaaaviglqlgaragvmtpvsaqssgseaiah
    awrqivmgdadvavcggvegpiealpiaafsmmramstrndeperasrpfdkdrdgfvfg
    eagalmlieteehakargakplarllgagitsdafhmvapaadgvragramtrslelagl
    spadidhvnahgtatpigdaaeanairvagcdqaavyapksalghsigavgalesvltvl
    tlrdgvipptlnyetpdpeidldvvageprygdyryavnnsfgfgghnvalafgry
    

    Sequence, based on observed residues (ATOM records): (download)
    >2wggG (G:)
    sqpstanggfpsvvvtavtattsispdiestwkgllagesgihaledefvtkwdlavkig
    ghlkdpvdshmgrldmrrmsyvqrmgkllggqlwesagspevdpdrfavvvgtglggaer
    ivesydlmnaggprkvsplavqmimpngaaaviglqlgaragvmtpvsaqssgseaiaha
    wrqivmgdadvavcggvegpiealpiaafsmmramstrndeperasrpfdkdrdgfvfge
    agalmlieteehakargakplarllgagitsdafhmvapaadgvragramtrslelagls
    padidhvnahgtatpigdaaeanairvagcdqaavyapksalghsigavgalesvltvlt
    lrdgvipptlnyetpdpeidldvvageprygdyryavnnsfgfgghnvalafgry
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >2wggH (H:)
    msqpstanggfpsvvvtavtattsispdiestwkgllagesgihaledefvtkwdlavki
    gghlkdpvdshmgrldmrrmsyvqrmgkllggqlwesagspevdpdrfavvvgtglggae
    rivesydlmnaggprkvsplavqmimpngaaaviglqlgaragvmtpvsaqssgseaiah
    awrqivmgdadvavcggvegpiealpiaafsmmramstrndeperasrpfdkdrdgfvfg
    eagalmlieteehakargakplarllgagitsdafhmvapaadgvragramtrslelagl
    spadidhvnahgtatpigdaaeanairvagcdqaavyapksalghsigavgalesvltvl
    tlrdgvipptlnyetpdpeidldvvageprygdyryavnnsfgfgghnvalafgry
    

    Sequence, based on observed residues (ATOM records): (download)
    >2wggH (H:)
    sqpstanggfpsvvvtavtattsispdiestwkgllagesgihaledefvtkwdlavkig
    ghlkdpvdshmgrldmrrmsyvqrmgkllggqlwesagspevdpdrfavvvgtglggaer
    ivesydlmnaggprkvsplavqmimpngaaaviglqlgaragvmtpvsaqssgseaiaha
    wrqivmgdadvavcggvegpiealpiaafsmmramstrndeperasrpfdkdrdgfvfge
    agalmlieteehakargakplarllgagitsdafhmvapaadgvragramtrslelagls
    padidhvnahgtatpigdaaeanairvagcdqaavyapksalghsigavgalesvltvlt
    lrdgvipptlnyetpdpeidldvvageprygdyryavnnsfgfgghnvalafgry