PDB entry 4jd3

View 4jd3 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 2013-02-22, released 2013-04-24
The last revision prior to the SCOPe 2.07 freeze date was dated 2014-05-21, with a file datestamp of 2014-05-16.
Experiment type: XRAY
Resolution: 2.25 Å
R-factor: 0.199
AEROSPACI score: 0.29 (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):
    • Uniprot O06587 (Start-352)
      • engineered mutation (137)
    Domains in SCOPe 2.07: d4jd3a1, d4jd3a2
  • 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):
    • Uniprot O06587 (Start-352)
      • engineered mutation (137)
    Domains in SCOPe 2.07: d4jd3b1, d4jd3b2
  • 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):
    • Uniprot O06587 (Start-352)
      • engineered mutation (137)
    Domains in SCOPe 2.07: d4jd3c1, d4jd3c2
  • 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):
    • Uniprot O06587 (Start-352)
      • engineered mutation (137)
    Domains in SCOPe 2.07: d4jd3d1, d4jd3d2
  • Heterogens: PLM, COA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4jd3A (A:)
msviagvfgalpphrysqseitdsfvefpglkeheeiirrlhaaakvngrhlvlplqqyp
sltdfgdaneifiekavdlgveallgalddanlrpsdidmiatatvtgvavpsldariag
rlglrpdvrrmplfglgsvagaagvarlrdylrgapddvavlvsvelcsltypavkptvs
slvgtalfgdgaaavvavgdrraeqvraggpdildsrsslypdslhimgwdvgshglrlr
lspdltnlierylandvttfldahrltkddigawvshpggpkvidavatslalppealel
twrslgeignlssasilhilrdtiekrppsgsaglmlamgpgfctelvllrwr

    Sequence, based on observed residues (ATOM records): (download) 
    >4jd3A (A:)
sviagvfgalpphrysqseitdsfvefpglkeheeiirrlhaaakvngrhlvlplqqyps
ltdfgdaneifiekavdlgveallgalddanlrpsdidmiatatvtgvavpsldariagr
lglrpdvrrmplfglgsvagaagvarlrdylrgapddvavlvsvelcsltypavkptvss
lvgtalfgdgaaavvavgdrraeqvraggpdildsrsslypdslhimgwdvgshglrlrl
spdltnlierylandvttfldahrltkddigawvshpggpkvidavatslalppealelt
wrslgeignlssasilhilrdtiekrppsgsaglmlamgpgfctelvllrwr

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4jd3B (B:)
msviagvfgalpphrysqseitdsfvefpglkeheeiirrlhaaakvngrhlvlplqqyp
sltdfgdaneifiekavdlgveallgalddanlrpsdidmiatatvtgvavpsldariag
rlglrpdvrrmplfglgsvagaagvarlrdylrgapddvavlvsvelcsltypavkptvs
slvgtalfgdgaaavvavgdrraeqvraggpdildsrsslypdslhimgwdvgshglrlr
lspdltnlierylandvttfldahrltkddigawvshpggpkvidavatslalppealel
twrslgeignlssasilhilrdtiekrppsgsaglmlamgpgfctelvllrwr

    Sequence, based on observed residues (ATOM records): (download) 
    >4jd3B (B:)
sviagvfgalpphrysqseitdsfvefpglkeheeiirrlhaaakvngrhlvlplqqyps
ltdfgdaneifiekavdlgveallgalddanlrpsdidmiatatvtgvavpsldariagr
lglrpdvrrmplfglgsvagaagvarlrdylrgapddvavlvsvelcsltypavkptvss
lvgtalfgdgaaavvavgdrraeqvraggpdildsrsslypdslhimgwdvgshglrlrl
spdltnlierylandvttfldahrltkddigawvshpggpkvidavatslalppealelt
wrslgeignlssasilhilrdtiekrppsgsaglmlamgpgfctelvllrwr

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >4jd3C (C:)
msviagvfgalpphrysqseitdsfvefpglkeheeiirrlhaaakvngrhlvlplqqyp
sltdfgdaneifiekavdlgveallgalddanlrpsdidmiatatvtgvavpsldariag
rlglrpdvrrmplfglgsvagaagvarlrdylrgapddvavlvsvelcsltypavkptvs
slvgtalfgdgaaavvavgdrraeqvraggpdildsrsslypdslhimgwdvgshglrlr
lspdltnlierylandvttfldahrltkddigawvshpggpkvidavatslalppealel
twrslgeignlssasilhilrdtiekrppsgsaglmlamgpgfctelvllrwr

    Sequence, based on observed residues (ATOM records): (download) 
    >4jd3C (C:)
sviagvfgalpphrysqseitdsfvefpglkeheeiirrlhaaakvngrhlvlplqqyps
ltdfgdaneifiekavdlgveallgalddanlrpsdidmiatatvtgvavpsldariagr
lglrpdvrrmplfglgsvagaagvarlrdylrgapddvavlvsvelcsltypavkptvss
lvgtalfgdgaaavvavgdrraeqvraggpdildsrsslypdslhimgwdvgshglrlrl
spdltnlierylandvttfldahrltkddigawvshpggpkvidavatslalppealelt
wrslgeignlssasilhilrdtiekrppsgsaglmlamgpgfctelvllrwr

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >4jd3D (D:)
msviagvfgalpphrysqseitdsfvefpglkeheeiirrlhaaakvngrhlvlplqqyp
sltdfgdaneifiekavdlgveallgalddanlrpsdidmiatatvtgvavpsldariag
rlglrpdvrrmplfglgsvagaagvarlrdylrgapddvavlvsvelcsltypavkptvs
slvgtalfgdgaaavvavgdrraeqvraggpdildsrsslypdslhimgwdvgshglrlr
lspdltnlierylandvttfldahrltkddigawvshpggpkvidavatslalppealel
twrslgeignlssasilhilrdtiekrppsgsaglmlamgpgfctelvllrwr

    Sequence, based on observed residues (ATOM records): (download) 
    >4jd3D (D:)
sviagvfgalpphrysqseitdsfvefpglkeheeiirrlhaaakvngrhlvlplqqyps
ltdfgdaneifiekavdlgveallgalddanlrpsdidmiatatvtgvavpsldariagr
lglrpdvrrmplfglgsvagaagvarlrdylrgapddvavlvsvelcsltypavkptvss
lvgtalfgdgaaavvavgdrraeqvraggpdildsrsslypdslhimgwdvgshglrlrl
spdltnlierylandvttfldahrltkddigawvshpggpkvidavatslalppealelt
wrslgeignlssasilhilrdtiekrppsgsaglmlamgpgfctelvllrwr