triangle PDBeMotif: 3dk3  
  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   2.7.10.2
Classification transferase    | release date: Tue, Jun 24, 2008
Title crystal structure of mutant abl kinase domain in complex with small molecule fragment
Authors H.A.LEWIS
Method X-RAY DIFFRACTION (resolution: 2.02Å)
PDBe Citation   
Small molecules:    search SX7 SX7 binding statistics SX7   search SO4 SO4 binding statistics SO4
Ligand bond colours:   *  covalent   *  ionic   *  hydrogen   *  electrostatic   *  van-der-waals   *  plane-atom   *  plane-plane   *  undefined  - Click here to show 5Å bonds
Chains A,B sequence:
MSLDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREP
PFYIITEFMTYGNLLDYLRECNRQEVSAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMT
GDTFTAHAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDPSQVYELLEKDYRMERPEGCPEKVY
ELMRACWQWNPSDRPSFAEIHQAFETMFQESSISDEVEKELGKRGEGHHHHHH
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 A : PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL1
member of: CATH:search1.10.510.10/search3.30.200.20GENE3D:searchG3DSA_1.10.510.10/searchG3DSA_3.30.200.20/searchG3DSA_3.30.505.10PANTHER:searchPTHR24418/searchPTHR24418_SF87PFAM:searchPF07714PRINTS:searchTYRKINASEPROSITE PATTERNS:searchPS00107/searchPS00109, PROSITE PROFILES:searchPS50011, SMART:searchSM00219SUPERFAMILY:searchSSF55550/searchSSF56112UniProt:searchP00520
JMol viewer RasMol script viewer  SX7 1A  ..               **   *               *     ..                    *               ***** **                                               *         ***                                                                                                                        
sec str:  .......hhh.eeeeee.hhhh...eeeeee....eeeeeee....hhhhhhhhhhhhh.........eeeee......eeeee.....hhhhhhhhh.....hhhhhhhhhhhhhhhhhhhhhh.ee....hhh.eee.hhh.eee.....ee......ee.......hhhhhhhhhhhhheehhhhhhhhhhhhhhhhhh.........hhhhhhhhhhh..........hhhhhhhhhhhh..hhhhh.hhhhhhhhhhhhhhhhhh
sequence :  ..DKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLK..EVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVSAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTFTAHAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDPSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQESSI
seq num:  ..233       243       253       263         ..279       289       299       309       319       329       339       349       359       369       379       389       399       409       419       429       439       449       459       469       479       489       499 
search RasMol script viewer Motif-ligand binding stats  CAMP_PHOSPHO_SITE ..|  |  |  || |  | || | |     |**^*|    || |..           |  | |  |   ||                  |   ||  || |       |   |   |  |    | | | |  || | |         |  |   |  |    |  |  ||  |  |   | | | |          |   | |   | ||   |      | |    |  |         |  | ||||| |  ||           | 
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  AMIDATION ..|  |  |  |     |  | |       |  | |    |   ..           |  | |  |   ||                  |   ||  || |       |   |           | | | |  || | |         |  |   |  |    |  |  ||  |      | | | |          |   | |   |  |          | |    |  |         |  | ||||| |   |             
search RasMol script viewer Motif-ligand binding stats  PROTEIN_KINASE_ATP ..|  |  |  |     ************************   ..           |  | |  |   ||                  |   ||  || |       |   |           | | | |  || | |         |  |   |  |    |  |  ||  |      | | | |          |   | |   |  |          | |    |  |         |  | ||||| |   |             
search RasMol script viewer Motif-ligand binding stats  PROTEIN_KINASE_TYR ..|  |  |  |        | |       |  | |        ..           |  | |  |   ||                  |   ||  || |       |   |           | ****^********         |  |   |  |    |  |  ||  |      | | | |          |   | |   |  |          | |    |  |         |  | ||||| |   |             
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  betabulgeloop ..|  |  |  |        | |       ******        ..           |  | |  |                            |  |          |   |           | | | |  || |           |  |   |  |    |  |  ||  |      | | | |          |   | |   |  |          | |    |  |         |  | || || |   |             
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 ..                                          ..                                                                                    |   |                                                 ***                                                                                   
search RasMol script viewer Motif-ligand binding stats  Catalytic site ..                                          ..                                                                                    *   *                                                                                                                                       

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 B : PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL1
member of: CATH:search1.10.510.10/search3.30.200.20GENE3D:searchG3DSA_1.10.510.10/searchG3DSA_3.30.200.20/searchG3DSA_3.30.505.10PANTHER:searchPTHR24418/searchPTHR24418_SF87PFAM:searchPF07714PRINTS:searchTYRKINASEPROSITE PATTERNS:searchPS00107/searchPS00109, PROSITE PROFILES:searchPS50011, SMART:searchSM00219SUPERFAMILY:searchSSF55550/searchSSF56112UniProt:searchP00520
JMol viewer RasMol script viewer  SO4 3B  ..                                         ..                                                                                    *                              * **                                                                                                             
JMol viewer RasMol script viewer  SX7 2B  ..               **   *               *    ..                                     ***** **                                       |       *         * *          | ||                                                                                                             
sec str:  .......hhh.eeeeee.hhhh...eeeeee....eeeeee.....hhhhhhhhhhhhhhh.......eeeee......eeeee.....hhhhhhhhh.....hhhhhhhhhhhhhhhhhhhhhh.ee....hhh.eee.hhh.eee.....ee......ee.......hhhhhhhhhhhhheehhhhhhhhhhhhhhhhhh.........hhhhhhhhhhh..........hhhhhhhhhhhh..hhhhh.hhhhhhhhhhhhhhhh.....
sequence :  ..DKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTL..MEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVSAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTFTAHAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDPSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQESSISDE
seq num:  ..233       243       253       263        ..278       288       298       308       318       328       338       348       358       368       378       388       398       408       418       428       438       448       458       468       478       488       498     
search RasMol script viewer Motif-ligand binding stats  CAMP_PHOSPHO_SITE ..| ||  |  || |  | || | |     |**^*|    || ..            |  | |  |   ||                  |   ||  ||   |     |  ||  ||  |    | | | | ||||| |         |  |     | |   |  |  ||  |  |   | | | |          |   | |   | ||| |||     | |    |  |         |  |  || | |  |        |  || |||
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  AMIDATION ..| ||  |  |     |  | |       |  | |    |  ..            |  | |  |   ||                  |   ||  ||   |     |  ||  |        | | | | ||||| |         |  |     | |   |  |  ||  |      | |              |   | |   |  || |||     | |    |  |         |  |  |  |             |  || | |
search RasMol script viewer Motif-ligand binding stats  PROTEIN_KINASE_ATP ..| ||  |  |     ************************  ..            |  | |  |   ||                  |   ||  ||   |     |  ||  |        | | | | ||||| |         |  |     | |   |  |  ||  |      | |              |   | |   |  || |||     | |    |  |         |  |  |  |             |  || | |
search RasMol script viewer Motif-ligand binding stats  PROTEIN_KINASE_TYR ..| ||  |  |        | |       |  | |       ..            |  | |  |   ||                  |   ||  ||   |     |  ||  |        | ****^********         |  |     | |   |  |  ||  |      | |              |   | |   |  || |||     | |    |  |         |  |  |  |             |  || | |
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  betabulgeloop ..|  |  |  |        | |       ******       ..            |  | |  |                            |  |          |  ||  |        | | | | |||||           |  |     | |   |  |  ||  |      | |              |   | |   |  ||  |      | |    |  |         |  |  |  |             |  || | |
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  ststaple ..                                         ..                                                               ********              |   |                                  *****                       *****                                                                  | | |
search RasMol script viewer Motif-ligand binding stats  stturn ..                                         ..                                                                                     |   |                                                                                                                                     *****
search RasMol script viewer Motif-ligand binding stats  Catalytic site ..                                         ..                                                                                     *   *                                                                                                                                          

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