triangle PDBeMotif: 4jaq  
  coner Sequences coner   coner 3D motifs coner   coner Ligand environment coner   coner Ligand bonds coner
   
coner
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coner
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Enzyme   2.3.1.
Classification transferase    | release date: Tue, Feb 19, 2013
Title crystal structure of mycobacterium tuberculosis pks11 reveal intermediates in the synthesis of methyl-branched alkylpyro
Authors J.C.SACCHETTINI, K.GOKULAN, MYCOBACTERIUM TUBERCULOSIS STRUCTU, PROTEOMICS PROJECT (XMTB)
Method X-RAY DIFFRACTION (resolution: 1.73Å)
PDBe Citation   
Small molecules:    search PLM PLM binding statistics PLM   search COA COA binding statistics COA   search 14V 14V binding statistics 14V
Ligand bond colours:   *  covalent   *  ionic   *  hydrogen   *  electrostatic   *  van-der-waals   *  plane-atom   *  plane-plane   *  undefined  - Click here to show 5Å bonds
Chains D,A,C,B sequence:
MSVIAGVFGALPPHRYSQSEITDSFVEFPGLKEHEEIIRRLHAAAKVNGRHLVLPLQQYPSLTDFGDANEIFIEKAVDLG
VEALLGALDDANLRPSDIDMIATATVTGVAVPSLDARIAGRLGLRPDVRRMPLFGLGCVAGAAGVARLRDYLRGAPDDVA
VLVSVELCSLTYPAVKPTVSSLVGTALFGDGAAAVVAVGDRRAEQVRAGGPDILDSRSSLYPDSLHIMGWDVGSHGLRLR
LSPDLTNLIERYLANDVTTFLDAHRLTKDDIGAWVSHPGGPKVIDAVATSLALPPEALELTWRSLGEIGNLSSASILHIL
RDTIEKRPPSGSAGLMLAMGPGFCTELVLLRWR
Residue colours:  hydrophilic   hydrophobic   intermediate 
Assembly 1     View the assembly/model: ( JMolViewer Download PDB file RasMol script viewer AstexViewer™@MSD-EBI )
Motif search   chain:    Sequence numbers: 
   Using:   φ/ψ    residues code    secondary structures   
 coordinates of:  Cαs Side-chain
 
      View the fragment: rasmol script JMol viewer
chain D : ALPHA-PYRONE SYNTHESIS POLYKETIDE SYNTHASE-LIKE P
member of: UniProt:searchP9WPF2
JMol viewer RasMol script viewer  14V 401D  ..                       *  *                           *                                                 *                              **                             ** *             *  *                                       * *        *                                                                        *                            *            
sec str:  ...eeeeeeee....eeehhhhhhhhh....hhhhhhhhhhhhhh....eee...hhhhhhhh.hhhhhhhhhhhhhhhhhhhhhhhhhhhhh.hhhhh.eeeeee.......hhhhhhhhhhh.....eeeeee.hhhhhhhhhhhhhhhhhhhh...eeeeeeeee.hhhhhhh..hhhhhhhhhhh.eeeeeeeeehhhhhh.......eeeeeeeee.......eeeeee..eeeeee..hhhhhhhhhhhhhhhhhhhh...hhh.eeeeee...hhhhhhhhhhhh......hhhhhhhhhhhh.hhhhhhhhhhhhhhhh......eeeeeeee...eeeeeeee..
sequence :  ..SVIAGVFGALPPHRYSQSEITDSFVEFPGLKEHEEIIRRLHAAAKVNGRHLVLPLQQYPSLTDFGDANEIFIEKAVDLGVEALLGALDDANLRPSDIDMIATATVTGVAVPSLDARIAGRLGLRPDVRRMPLFGLGCVAGAAGVARLRDYLRGAPDDVAVLVSVELCSLTYPAVKPTVSSLVGTALFGDGAAAVVAVGDRRAEQVRAGGPDILDSRSSLYPDSLHIMGWDVGSHGLRLRLSPDLTNLIERYLANDVTTFLDAHRLTKDDIGAWVSHPGGPKVIDAVATSLALPPEALELTWRSLGEIGNLSSASILHILRDTIEKRPPSGSAGLMLAMGPGFCTELVLLRWR
seq num:  ..2         12        22        32        42        52        62        72        82        92        102       112       122       132       142       152       162       172       182       192       202       212       222       232       242       252       262       272       282       292       302       312       322       332       342         
search RasMol script viewer Motif-ligand binding stats  ASN_GLYCOSYLATION ..   ||    || |  |  |   || || ||| |          | |           | || |   |                      | |||||||     | |              | ||  |      | |    |            |  |             |  |         |  |            ||||||                | |  |    |  |     | |              | || |||||||||    |             | |       | ||  | |^***|    |   |     |  | |    |              
search RasMol script viewer Motif-ligand binding stats  PKC_PHOSPHO_SITE ..   ||    || |  |  |   || || ||| |          | |           | || |   |                      | |||||||     | |              | ||  |      | |    |            |  |             |  |         |  |            ||||||                | |  |    |  |     | |              | || |||||||||    |             | |       ^**|  | || | |    |   |     |  | |    |              
search RasMol script viewer Motif-ligand binding stats  CK2_PHOSPHO_SITE ..   ||    || |  ^***   ^***| ||| |          | |           | ^***   |                      | |||^***     | |              | ||  |      | |    |            |  |             |  |         |  |            ||||||                | |  |    |  |     | |              ^*** |||^***||    |             | |          ^*** || | |    |   |     |  | |    |              
search RasMol script viewer Motif-ligand binding stats  MYRISTYL ..   |^*****| |          |  | ||| |          | |           |  | |   |                      | ||| ||      | |              | ||  |      | ^*****            |  |             |  |         |  |            ||||||                | |  |    |  |     | |                || ||||||||^*****             | |               ^*****    |   |     |  | ^*****              
search RasMol script viewer Motif-ligand binding stats  alphabetamotif ..   ||     | |          |  | ||| |          | |           |  | |   |                      | ||| ||      | |              | ||  |      | |                 |  |             |  |         |  |            *****|                | |  |    |  |     | |                || ||||||||                   | |                | |      |   |     |  |                     
search RasMol script viewer Motif-ligand binding stats  asxmotif ..   ||     | |          |  | ||| |          | |           |  | *****                      | ||| ||      | |              | ||  |      | |                 |  |             |  |         |  |            ||||||                | |  |    |  |     | |                || ||||||||                   | |                | |      |   |     |  |                     
search RasMol script viewer Motif-ligand binding stats  asxturn ..   ||     | |          |  | ||| |          | |           |  | |                          | ||| ||      | |              | ||  |      | |                 |  |             |  |         |  |            ||||||                | |  |    |  |     | |                || ||||||||                   | |                ***      |   |     |  |                     
search RasMol script viewer Motif-ligand binding stats  betabulge ..   **     | |          |  | ||| |          | |           |  | |                          | ||| ||      | |              | ||  |      | |                 |  |             |  |         |  |            ||||||                | |  |    |  |     | |                || ||||||||                   | |                         |   |     |  |                     
search RasMol script viewer Motif-ligand binding stats  betaturn ..          | |          **********          | |           **** |                          | |****|      | |              | ||  |      | |                 |  |             ****         |  |            *****|                | |  |    ****     | |                *****|****|                   | |                         |   |     ****                     
search RasMol script viewer Motif-ligand binding stats  nest ..          | |          |  | ***            ***              | |                          *** |  |      | |              ***|  |      ***                 |  |             |  |         |  |              |  |                ***  |             | |                   ***||| |                   ***                         |   |     |  |                     
search RasMol script viewer Motif-ligand binding stats  niche ..          ***          ****                                 ***                              ****      | |                 ****                          ****             ****         ****              ****                  ****             | |                      |****                                               |   |     ****                     
search RasMol script viewer Motif-ligand binding stats  stmotif ..                                                                                                       | |                                                                                                                                      | |                      *****                                               |   |                              
search RasMol script viewer Motif-ligand binding stats  ststaple ..                                                                                                       | |                                                                                                                                      | |                      | |                                                 *****                              
search RasMol script viewer Motif-ligand binding stats  stturn ..                                                                                                       ***                                                                                                                                      ***                      ***                                                                                    

chain C : ALPHA-PYRONE SYNTHESIS POLYKETIDE SYNTHASE-LIKE P
member of: UniProt:searchP9WPF2
JMol viewer RasMol script viewer  PLM 402C  ..                                                                                                        *                              **                             *  *                *                                       * *                                                                                 *                            *            
JMol viewer RasMol script viewer  COA 401C  ..                                       *  *                                                             |                              ||                             |  |       **  *    |                                       * |          * *                                   * ***                            |                          * |            
sec str:  ...eeeeeeee...eeeehhhhhhhhh....hhhhhhhhhhhhhhh...eeee..hhhhhhhh.hhhhhhhhhhhhhhhhhhhhhhhhhhhhh.hhhhh.eeeeee.......hhhhhhhhhhh.....eeeeee.hhhhhhhhhhhhhhhhhhh....eeeeeeeee.hhhhhhh..hhhhhhhhhhh.eeeeeeeeehhhhhhhhh....eeeeeeeee.......eeeeee..eeeeee..hhhhhhhhhhhhhhhhhhhh...hhh.eeeeee...hhhhhhhhhhhhh.hhhhhhhhhhhhhhhh.hhhhhhhhhhhhhhhhh.....eeeeeeee...eeeeeeee..
sequence :  ..SVIAGVFGALPPHRYSQSEITDSFVEFPGLKEHEEIIRRLHAAAKVNGRHLVLPLQQYPSLTDFGDANEIFIEKAVDLGVEALLGALDDANLRPSDIDMIATATVTGVAVPSLDARIAGRLGLRPDVRRMPLFGLGCVAGAAGVARLRDYLRGAPDDVAVLVSVELCSLTYPAVKPTVSSLVGTALFGDGAAAVVAVGDRRAEQVRAGGPDILDSRSSLYPDSLHIMGWDVGSHGLRLRLSPDLTNLIERYLANDVTTFLDAHRLTKDDIGAWVSHPGGPKVIDAVATSLALPPEALELTWRSLGEIGNLSSASILHILRDTIEKRPPSGSAGLMLAMGPGFCTELVLLRWR
seq num:  ..2         12        22        32        42        52        62        72        82        92        102       112       122       132       142       152       162       172       182       192       202       212       222       232       242       252       262       272       282       292       302       312       322       332       342         
search RasMol script viewer Motif-ligand binding stats  ASN_GLYCOSYLATION ..   ||    || |  |  ||  || || ||| |          | |       |  || || |   |                   || |||||||||     | |     |   |    | ||  |      | |  | |         |  |  |             |  || |      |  |              || |||              | |  |    |  |     | |              | || ||||| |||    |             | |       | ||  | |^***|    |   ||  | |  | |    |              
search RasMol script viewer Motif-ligand binding stats  PKC_PHOSPHO_SITE ..   ||    || |  |  ||  || || ||| |          | |       |  || || |   |                   || |||||||||     | |     |   |    | ||  |      | |  | |         |  |  |             |  || |      |  |              || |||              | |  |    |  |     | |              | || ||||| |||    |             | |       ^**|  | || | |    |   ||  | |  | |    |              
search RasMol script viewer Motif-ligand binding stats  CK2_PHOSPHO_SITE ..   ||    || |  ^***|  ^***| ||| |          | |       |  || ^***   |                   || |||||^***     | |     |   |    | ||  |      | |  | |         |  |  |             |  || |      |  |              || |||              | |  |    |  |     | |              ^*** |||^***||    |             | |          ^*** || | |    |   ||  | |  | |    |              
search RasMol script viewer Motif-ligand binding stats  MYRISTYL ..   |^*****| |  |   |  || || ||| |          | |       |  ||  | |   |                   || ||||| ||      | |     |   |    | ||  |      | ^*****         |  |  |             |  || |      |  |              || |||              | |  |    |  |     | |                || ||||| ||^*****             | |               ^*****    |   ||  | |  | ^*****              
search RasMol script viewer Motif-ligand binding stats  asxmotif ..   ||     | |  |   |  || || ||| |          | |       |  ||  | *****                   || ||||| ||      | |     |   |    | ||  |      | |  |           |  |  |             |  || |      |  |              || |||              | |  |    |  |     | |                || ||||| ||                   | |                | |      |   ||  | |  |                     
search RasMol script viewer Motif-ligand binding stats  asxturn ..   ||     | |  |   |  || || ||| |          | |       |  ||  |                         || ||||| ||      | |     |   |    | ||  |      | |  |           |  |  |             |  || |      |  |              || |||              | |  |    |  |     | |                || ||||| ||                   | |                ***      |   ||  | |  |                     
search RasMol script viewer Motif-ligand binding stats  betabulge ..   **     | |  |   |  || || ||| |          | |       |  ||  |                         || ||||| ||      | |     |   |    | ||  |      | |  |           |  |  |             |  || |      |  |              || |||              | |  |    |  |     | |                || ||||| ||                   | |                         |   ||  | |  |                     
search RasMol script viewer Motif-ligand binding stats  betaturn ..          | |  |   |  ***********          | |       ********                         |****|****|      | |     |   |    | ||  |      | ****           ****  |             ****| |      |  |              |****|              | |  |    ****     | |                *****|*****                   | |                         |   |**** ****                     
search RasMol script viewer Motif-ligand binding stats  gammaturn ..          | |  |   |   |  | | |            | |                                        |  | | |  |      | |     |   |    | ||  |      | |                 |  |             |  |***      |  |              |  | |              | |  |             | |                   | | |  |                   | |                         |   |     |  |                     
search RasMol script viewer Motif-ligand binding stats  nest ..          | |  |   |   |  | ***            ***                                        |  *** |  |      | |     |   |    ***|  |      ***                 |  |             |  |         |  |              |  ***              ***  |             | |                   *** |  |                   ***                         |   |     |  |                     
search RasMol script viewer Motif-ligand binding stats  niche ..          ***  |   |   ****                                                           |    | ****      | |     |   |       ****                          ****             ****         ****              |    |                ****             | |                       ****                                               |   |     ****                     
search RasMol script viewer Motif-ligand binding stats  schellmannloop ..               |   |                                                                  ******           | |     |   |                                                                                     ******                                 | |                                                                          |   |                              
search RasMol script viewer Motif-ligand binding stats  stmotif ..               *****                                                                                   | |     *****                                                                                                                            | |                                                                          |   |                              
search RasMol script viewer Motif-ligand binding stats  ststaple ..                                                                                                       | |                                                                                                                                      | |                                                                          *****                              
search RasMol script viewer Motif-ligand binding stats  stturn ..                                                                                                       ***                                                                                                                                      ***                                                                                                             

Assembly 2     View the assembly/model: ( JMolViewer Download PDB file RasMol script viewer AstexViewer™@MSD-EBI )
Motif search   chain:    Sequence numbers: 
   Using:   φ/ψ    residues code    secondary structures   
 coordinates of:  Cαs Side-chain
 
      View the fragment: rasmol script JMol viewer
chain A : ALPHA-PYRONE SYNTHESIS POLYKETIDE SYNTHASE-LIKE P
member of: UniProt:searchP9WPF2
JMol viewer RasMol script viewer  14V 401A  ..                          *                              *                                              *                              **                             ** *            **  *                                       * *          *                                                                                                   *            
sec str:  ...eeeeeeee....eeehhhhhhhhh....hhhhhhhhhhhhhh....eee...hhhhhhhh.hhhhhhhhhhhhhhhhhhhhhhhhhhhhh.hhhhh.eeeeee.......hhhhhhhhhhh.....eeeeee.hhhhhhhhhhhhhhhhhhhh...eeeeeeeee.hhhhhhh..hhhhhhhhhhh.eeeeeeeee...hhhhhh....eeeeeeeee...hhh.eeeeee..eeeeee..hhhhhhhhhhhhhhhhhhhh...hhh.eeeeee...hhhhhhhhhhhhh.....hhhhhhhhhhhh.hhhhhhhhhhhhhhhh......eeeeeeee...eeeeeeee..
sequence :  ..SVIAGVFGALPPHRYSQSEITDSFVEFPGLKEHEEIIRRLHAAAKVNGRHLVLPLQQYPSLTDFGDANEIFIEKAVDLGVEALLGALDDANLRPSDIDMIATATVTGVAVPSLDARIAGRLGLRPDVRRMPLFGLGCVAGAAGVARLRDYLRGAPDDVAVLVSVELCSLTYPAVKPTVSSLVGTALFGDGAAAVVAVGDRRAEQVRAGGPDILDSRSSLYPDSLHIMGWDVGSHGLRLRLSPDLTNLIERYLANDVTTFLDAHRLTKDDIGAWVSHPGGPKVIDAVATSLALPPEALELTWRSLGEIGNLSSASILHILRDTIEKRPPSGSAGLMLAMGPGFCTELVLLRWR
seq num:  ..2         12        22        32        42        52        62        72        82        92        102       112       122       132       142       152       162       172       182       192       202       212       222       232       242       252       262       272       282       292       302       312       322       332       342         
search RasMol script viewer Motif-ligand binding stats  ASN_GLYCOSYLATION ..   ||    || |  |  |   || || ||| |          | |       |  || || |   |                   || |||||||||     | |     |   |    | ||  |      | |    |            |  |             |  |         |  |          |  ||  | |              | |  |    |  |     | |              | || |||||||||    |             | |       | ||  | |^***|    |   ||  | |  | |    |              
search RasMol script viewer Motif-ligand binding stats  PKC_PHOSPHO_SITE ..   ||    || |  |  |   || || ||| |          | |       |  || || |   |                   || |||||||||     | |     |   |    | ||  |      | |    |            |  |             |  |         |  |          |  ||  | |              | |  |    |  |     | |              | || |||||||||    |             | |       ^**|  | || | |    |   ||  | |  | |    |              
search RasMol script viewer Motif-ligand binding stats  CK2_PHOSPHO_SITE ..   ||    || |  ^***   ^***| ||| |          | |       |  || ^***   |                   || |||||^***     | |     |   |    | ||  |      | |    |            |  |             |  |         |  |          |  ||  | |              | |  |    |  |     | |              ^*** |||^***||    |             | |          ^*** || | |    |   ||  | |  | |    |              
search RasMol script viewer Motif-ligand binding stats  MYRISTYL ..   |^*****| |          |  | ||| |          | |       |  ||  | |   |                   || ||||| ||      | |     |   |    | ||  |      | ^*****            |  |             |  |         |  |          |  ||  | |              | |  |    |  |     | |                || ||||||||^*****             | |               ^*****    |   ||  | |  | ^*****              
search RasMol script viewer Motif-ligand binding stats  alphabetamotif ..   ||     | |          |  | ||| |          | |       |  ||  | |   |                   || ||||| ||      | |     |   |    | ||  |      | |                 |  |             |  |         |  |          *****  | |              | |  |    |  |     | |                || ||||||||                   | |                | |      |   ||  | |  |                     
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chain B : ALPHA-PYRONE SYNTHESIS POLYKETIDE SYNTHASE-LIKE P
member of: UniProt:searchP9WPF2
JMol viewer RasMol script viewer  PLM 402B  ..                   *   *                              *                                                 *                               *                             *  *   *            *                                         *                                                                                 *                                         
JMol viewer RasMol script viewer  COA 401B  ..                   |   |              *   *           |                                                 |                               |                             |  |   |   **  *   *|                                       * |          * *                                   * ***                            |                          *              
sec str:  ...eeeeeeee...eeeehhhhhhhhh....hhhhhhhhhhhhhhh...eeee..hhhhhhhh.hhhhhhhhhhhhhhhhhhhhhhhhhhhhh.hhhhh.eeeeee.......hhhhhhhhhhh.....eeeeee.hhhhhhhhhhhhhhhhhh.....eeeeeeeee.hhhhhhh..hhhhhhhhhhh.eeeeeeeeehhhhhhhhh....eeeeeeeee.......eeeeee..eeeeee..hhhhhhhhhhhhhhhhhhhhh..hhh.eeeeee...hhhhhhhhhhhh......hhhhhhhhhhhh.hhhhhhhhhhhhhhhhh.....eeeeeeee...eeeeeeee..
sequence :  ..SVIAGVFGALPPHRYSQSEITDSFVEFPGLKEHEEIIRRLHAAAKVNGRHLVLPLQQYPSLTDFGDANEIFIEKAVDLGVEALLGALDDANLRPSDIDMIATATVTGVAVPSLDARIAGRLGLRPDVRRMPLFGLGCVAGAAGVARLRDYLRGAPDDVAVLVSVELCSLTYPAVKPTVSSLVGTALFGDGAAAVVAVGDRRAEQVRAGGPDILDSRSSLYPDSLHIMGWDVGSHGLRLRLSPDLTNLIERYLANDVTTFLDAHRLTKDDIGAWVSHPGGPKVIDAVATSLALPPEALELTWRSLGEIGNLSSASILHILRDTIEKRPPSGSAGLMLAMGPGFCTELVLLRWR
seq num:  ..2         12        22        32        42        52        62        72        82        92        102       112       122       132       142       152       162       172       182       192       202       212       222       232       242       252       262       272       282       292       302       312       322       332       342         
search RasMol script viewer Motif-ligand binding stats  ASN_GLYCOSYLATION ..   ||    || |  |  |   || || ||| |          | |       |  || || |   |                   || |||||||||     | |              | ||  |      | |    |         |  |  |             |  || |      |  |                 | |              | |  |    |  |                      | || ||||| |||    |          || |||       | ||  | |^***|    |   |     |  | |    |              
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search RasMol script viewer Motif-ligand binding stats  MYRISTYL ..   |^*****| |         || || ||| |          | |       |  ||  | |   |                   || ||||| ||      | |              | ||  |      | ^*****         |  |  |             |  || |      |  |                 | |              | |  |    |  |                        || ||||| ||^*****          || |||               ^*****    |   |     |  | ^*****              
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