PDB entry 4jaq

View 4jaq on RCSB PDB site
Description: Crystal Structure of Mycobacterium tuberculosis PKS11 Reveals Intermediates in the Synthesis of Methyl-branched Alkylpyrones
Class: transferase
Keywords: lipid biosynthesis, Structural Genomics, Enzyme Function Initiative, ketosynthase enzyme, Alkylpyrone synthesis, TRANSFERASE
Deposited on 2013-02-19, released 2013-04-24
The last revision prior to the SCOPe 2.07 freeze date was dated 2013-11-27, with a file datestamp of 2013-11-22.
Experiment type: XRAY
Resolution: 1.73 Å
R-factor: 0.184
AEROSPACI score: 0.46 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Alpha-pyrone synthesis polyketide synthase-like Pks11
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: pks11, Rv1665, MT1705
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4jaqa1, d4jaqa2
  • Chain 'B':
    Compound: Alpha-pyrone synthesis polyketide synthase-like Pks11
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: pks11, Rv1665, MT1705
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4jaqb1, d4jaqb2
  • Chain 'C':
    Compound: Alpha-pyrone synthesis polyketide synthase-like Pks11
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: pks11, Rv1665, MT1705
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4jaqc1, d4jaqc2
  • Chain 'D':
    Compound: Alpha-pyrone synthesis polyketide synthase-like Pks11
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: pks11, Rv1665, MT1705
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4jaqd1, d4jaqd2
  • Heterogens: 14V, COA, PLM, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4jaqA (A:)
    msviagvfgalpphrysqseitdsfvefpglkeheeiirrlhaaakvngrhlvlplqqyp
    sltdfgdaneifiekavdlgveallgalddanlrpsdidmiatatvtgvavpsldariag
    rlglrpdvrrmplfglgcvagaagvarlrdylrgapddvavlvsvelcsltypavkptvs
    slvgtalfgdgaaavvavgdrraeqvraggpdildsrsslypdslhimgwdvgshglrlr
    lspdltnlierylandvttfldahrltkddigawvshpggpkvidavatslalppealel
    twrslgeignlssasilhilrdtiekrppsgsaglmlamgpgfctelvllrwr
    

    Sequence, based on observed residues (ATOM records): (download)
    >4jaqA (A:)
    sviagvfgalpphrysqseitdsfvefpglkeheeiirrlhaaakvngrhlvlplqqyps
    ltdfgdaneifiekavdlgveallgalddanlrpsdidmiatatvtgvavpsldariagr
    lglrpdvrrmplfglgcvagaagvarlrdylrgapddvavlvsvelcsltypavkptvss
    lvgtalfgdgaaavvavgdrraeqvraggpdildsrsslypdslhimgwdvgshglrlrl
    spdltnlierylandvttfldahrltkddigawvshpggpkvidavatslalppealelt
    wrslgeignlssasilhilrdtiekrppsgsaglmlamgpgfctelvllrwr
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4jaqB (B:)
    msviagvfgalpphrysqseitdsfvefpglkeheeiirrlhaaakvngrhlvlplqqyp
    sltdfgdaneifiekavdlgveallgalddanlrpsdidmiatatvtgvavpsldariag
    rlglrpdvrrmplfglgcvagaagvarlrdylrgapddvavlvsvelcsltypavkptvs
    slvgtalfgdgaaavvavgdrraeqvraggpdildsrsslypdslhimgwdvgshglrlr
    lspdltnlierylandvttfldahrltkddigawvshpggpkvidavatslalppealel
    twrslgeignlssasilhilrdtiekrppsgsaglmlamgpgfctelvllrwr
    

    Sequence, based on observed residues (ATOM records): (download)
    >4jaqB (B:)
    sviagvfgalpphrysqseitdsfvefpglkeheeiirrlhaaakvngrhlvlplqqyps
    ltdfgdaneifiekavdlgveallgalddanlrpsdidmiatatvtgvavpsldariagr
    lglrpdvrrmplfglgcvagaagvarlrdylrgapddvavlvsvelcsltypavkptvss
    lvgtalfgdgaaavvavgdrraeqvraggpdildsrsslypdslhimgwdvgshglrlrl
    spdltnlierylandvttfldahrltkddigawvshpggpkvidavatslalppealelt
    wrslgeignlssasilhilrdtiekrppsgsaglmlamgpgfctelvllrwr
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4jaqC (C:)
    msviagvfgalpphrysqseitdsfvefpglkeheeiirrlhaaakvngrhlvlplqqyp
    sltdfgdaneifiekavdlgveallgalddanlrpsdidmiatatvtgvavpsldariag
    rlglrpdvrrmplfglgcvagaagvarlrdylrgapddvavlvsvelcsltypavkptvs
    slvgtalfgdgaaavvavgdrraeqvraggpdildsrsslypdslhimgwdvgshglrlr
    lspdltnlierylandvttfldahrltkddigawvshpggpkvidavatslalppealel
    twrslgeignlssasilhilrdtiekrppsgsaglmlamgpgfctelvllrwr
    

    Sequence, based on observed residues (ATOM records): (download)
    >4jaqC (C:)
    sviagvfgalpphrysqseitdsfvefpglkeheeiirrlhaaakvngrhlvlplqqyps
    ltdfgdaneifiekavdlgveallgalddanlrpsdidmiatatvtgvavpsldariagr
    lglrpdvrrmplfglgcvagaagvarlrdylrgapddvavlvsvelcsltypavkptvss
    lvgtalfgdgaaavvavgdrraeqvraggpdildsrsslypdslhimgwdvgshglrlrl
    spdltnlierylandvttfldahrltkddigawvshpggpkvidavatslalppealelt
    wrslgeignlssasilhilrdtiekrppsgsaglmlamgpgfctelvllrwr
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4jaqD (D:)
    msviagvfgalpphrysqseitdsfvefpglkeheeiirrlhaaakvngrhlvlplqqyp
    sltdfgdaneifiekavdlgveallgalddanlrpsdidmiatatvtgvavpsldariag
    rlglrpdvrrmplfglgcvagaagvarlrdylrgapddvavlvsvelcsltypavkptvs
    slvgtalfgdgaaavvavgdrraeqvraggpdildsrsslypdslhimgwdvgshglrlr
    lspdltnlierylandvttfldahrltkddigawvshpggpkvidavatslalppealel
    twrslgeignlssasilhilrdtiekrppsgsaglmlamgpgfctelvllrwr
    

    Sequence, based on observed residues (ATOM records): (download)
    >4jaqD (D:)
    sviagvfgalpphrysqseitdsfvefpglkeheeiirrlhaaakvngrhlvlplqqyps
    ltdfgdaneifiekavdlgveallgalddanlrpsdidmiatatvtgvavpsldariagr
    lglrpdvrrmplfglgcvagaagvarlrdylrgapddvavlvsvelcsltypavkptvss
    lvgtalfgdgaaavvavgdrraeqvraggpdildsrsslypdslhimgwdvgshglrlrl
    spdltnlierylandvttfldahrltkddigawvshpggpkvidavatslalppealelt
    wrslgeignlssasilhilrdtiekrppsgsaglmlamgpgfctelvllrwr