PDB entry 4jar

View 4jar on RCSB PDB site
Description: Crystal structure of mycobacterium tuberculosis pks11 in complex with polyketide intermediates and evidence that it synthesize 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: 1.98 Å
R-factor: 0.27
AEROSPACI score: 0.28 (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: d4jara1, d4jara2
  • 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: d4jarb1, d4jarb2
  • 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: d4jarc1, d4jarc2
  • 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: d4jard1, d4jard2

PDB Chain Sequences:

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

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

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4jarB (B:)
    msviagvfgalpphrysqseitdsfvefpglkeheeiirrlhaaakvngrhlvlplqqyp
    sltdfgdaneifiekavdlgveallgalddanlrpsdidmiatatvtgvavpsldariag
    rlglrpdvrrmplfglgcvagaagvarlrdylrgapddvavlvsvelcsltypavkptvs
    slvgtalfgdgaaavvavgdrraeqvraggpdildsrsslypdslhimgwdvgshglrlr
    lspdltnlierylandvttfldahrltkddigawvshpggpkvidavatslalppealel
    twrslgeignlssasilhilrdtiekrppsgsaglmlamgpgfctelvllrwr
    

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

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

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

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