triangle PDBeMotif: 3en5  
  coner Sequences coner   coner 3D motifs coner   coner Ligand environment coner   coner Ligand bonds coner
   
coner
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Enzyme   2.7.10.2
Classification transferase    | release date: Thu, Sep 25, 2008
Title targeted polypharmacology: crystal structure of the c-src ki domain in complex with pp494, a multitargeted kinase inhibi
Authors B.APSEL, J.A.BLAIR, K.M.SHOKAT, Z.A.KNIGHT
Method X-RAY DIFFRACTION (resolution: 2.66Å)
PDBe Citation   
Small molecules:    search KS4 KS4 binding statistics KS4
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:
GHMQTQGLAKDAWEIPRESLRLEVKLGQGCFGEVWMGTWNGTTRVAIKTLKPGTMSPEAFLQEAQVMKKLRHEKLVQLYA
VVSEEPIYIVTEYMSKGSLLDFLKGEMGKYLRLPQLVDMAAQIASGMAYVERMNYVHRDLRAANILVGENLVCKVADFGL
ARLIEDNEYTARQGAKFPIKWTAPEAALYGRFTIKSDVWSFGILLTELTTKGRVPYPGMVNREVLDQVERGYRMPCPPEC
PESLHDLMCQCWRKDPEERPTFEYLQAFLEDYFTSTEPQYQPGENL
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 SRC
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_SF53PFAM:searchPF07714PRINTS:searchTYRKINASEPROSITE PATTERNS:searchPS00107/searchPS00109, PROSITE PROFILES:searchPS50011, SMART:searchSM00219SUPERFAMILY:searchSSF55550/searchSSF56112UniProt:searchP00523
JMol viewer RasMol script viewer  KS4 1A  ..                 ..   *           * *  ..  *                     * ****                                                   *          ..                                                                                                             
sec str:  .....hhh.eeeeeeeee.....eeeeeee...eeeeeee...hhhhhh.......eeeee.....eeee......hhhhhhhh.hhhhhhhhhhhhhhhhhhhhhhhhhhhh......hhh.eee.hhh.eee...hhhhhhhhhhhhh..hhhhhhhhhhhhhhhhhh.........hhhhhhhhhhh..........hhhhhhhhhhhh..hhhhh.hhhhhhhhhhhhhhhh..........
sequence :  ..WEIPRESLRLEVKLGQG..FGEVWMGTWNGTTRVAIKTL..QVMKKLRHEKLVQLYAVVSEEPIYIVTEYMSKGSLLDFLKGEMGKYLRLPQLVDMAAQIASGMAYVERMNYVHRDLRAANILVGENLVCKVA..PIKWTAPEAALYGRFTIKSDVWSFGILLTELTTKGRVPYPGMVNREVLDQVERGYRMPCPPECPESLHDLMCQCWRKDPEERPTFEYLQAFLEDYFTSTEPQYQPGENL
seq num:  ..260       270    ..278       288       ..312       322       332       342       352       362       372       382       392         ..425       435       445       455       465       475       485       495       505       515       525      
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  TYR_PHOSPHO_SITE ..    |  |  || |   ..      |    |     |  .. || || |  |   ||                 |   |    || ||                     | | | |  |  | |         .. |  |      | | | ||   | |  ||| || |   |  ||  ||  || |||    |  |         |  | || || |   |           |  |      
search RasMol script viewer Motif-ligand binding stats  MYRISTYL ..    |  |  || |   ..      ^*****     |  .. || || |  |   ||                 |   |    || ||                     | | | |  |  | |         .. |  |      | | | ||   | ^***** || |   |  ||  ||  || |||    |  |         |  | || || |   |           |  |      
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  alphabetamotif ..    |  |  ||     ..                    .. ***** |  |   ||                 |   |    *****                     | | | |  |  |           .. |  |      | | | ||   |    ||  || |   |  |*****  || |||    |  |         |  | || || |   |           |  |      
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  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 ..                 ..                    ..                                                                          |                 ..               ***                                                                                           
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 SRC
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_SF53PFAM:searchPF07714PRINTS:searchTYRKINASEPROSITE PATTERNS:searchPS00107/searchPS00109, PROSITE PROFILES:searchPS50011, SMART:searchSM00219SUPERFAMILY:searchSSF55550/searchSSF56112UniProt:searchP00523
JMol viewer RasMol script viewer  KS4 2B  ..                 *       *           ***                                        * ****                                                   *          *   ..KS4 ..                                                                                                             
sec str:  .........hhh.eeeeeeeee...eeeeeeee...eeeeeeee.....hhhhhhhhhhhhhhh.......eeeee.....eeee......hhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhh.......hhh.eee.hhh.eee........ .......hhhhhhhh..hhhhhhhhhhhhhhhhhh.........hhhhhhhhhhh..........hhhhhhhhhhhh..hhhhh.hhhhhhhhhhhhhhhh..........
sequence :  ..AKDAWEIPRESLRLEVKLGQGCFGEVWMGTWNGTTRVAIKTLKPGTMSPEAFLQEAQVMKKLRHEKLVQLYAVVSEEPIYIVTEYMSKGSLLDFLKGEMGKYLRLPQLVDMAAQIASGMAYVERMNYVHRDLRAANILVGENLVCKVADFGL... ..PIKWTAPEAALYGRFTIKSDVWSFGILLTELTTKGRVPYPGMVNREVLDQVERGYRMPCPPECPESLHDLMCQCWRKDPEERPTFEYLQAFLEDYFTSTEPQYQPGENL
seq num:  ..256       266       276       286       296       306       316       326       336       346       356       366       376       386       396         ... ..425       435       445       455       465       475       485       495       505       515       525      
search RasMol script viewer Motif-ligand binding stats  ASN_GLYCOSYLATION ..  |  |  | ||| || ||         |  ^***|   || | |||           |  | |  |      | |             |  ||     |  |                   | ||| | |  |  | |             ..PS00001.. |  || ||| | | | |||  | || ||| ||||   |  |       || |||    |  |  |  |   |  | || || |   |        |  |  |      
search RasMol script viewer Motif-ligand binding stats  PKC_PHOSPHO_SITE ..  |  |  | ^** || ||         |    ^**   |^** |||           |  | |  |      | |             |  ||     |  |                   | ||| | |  |  | |             ..PS00005.. |  || ||| | | ^**||  | || ||| ^**|   |  |       || |||    |  |  |  |   |  | || || |   |        |  |  |      
search RasMol script viewer Motif-ligand binding stats  CK2_PHOSPHO_SITE ..  |  |  |  |  || ||         |    |     |  | |||           |  | |  |      | |             ^***|     |  |                   | ||| | |  |  | |             ..PS00006.. |  ^***|| | | | |||  | || ||| || |   |  |       || |||    |  |  ^***   |  | || || |   |        ^***  |      
search RasMol script viewer Motif-ligand binding stats  TYR_PHOSPHO_SITE ..  |  |  |  |  || ||         |    |     |  | |||           |  | |  |      | |             |   |     |  |                   | ||| | |  |  | |             ..PS00007.. |  ||  || | | | |||  | || ||| || |   |  |       || |||    |  |         |  | || || |   |           |  |      
search RasMol script viewer Motif-ligand binding stats  MYRISTYL ..  |  |  |  |  || ||         ^*****     |  | |||           |  | |  |      | |             |   |     |  |                   | ||| | |  |  | |             ..PS00008.. |  ||  || | | | |||  | ^***** || |   |  |       || |||    |  |         |  | || || |   |           |  |      
search RasMol script viewer Motif-ligand binding stats  PROTEIN_KINASE_ATP ..  |  |  |  |  || ***********************  | |||           |  | |  |      | |             |   |     |  |                   | ||| | |  |  | |             ..PS00107.. |  ||  || | | | |||  |  | ||  || |   |  |       || |||    |  |         |  | || || |   |           |  |      
search RasMol script viewer Motif-ligand binding stats  PROTEIN_KINASE_TYR ..  |  |  |  |  || ||                       | |||           |  | |  |      | |             |   |     |  |                   | ||****^********             ..PS00109.. |  ||  || | | | |||  |  | ||  || |   |  |       || |||    |  |         |  | || || |   |           |  |      
search RasMol script viewer Motif-ligand binding stats  alphabetamotif ..  |  |  |  |  || ||                       | |||           |  | |  |      | |             |   |     |  |                   | ||| | |  |  |               ..alphabetamotif.. |  |***** | | | |||  |  | ||  || |   |  |       || |||    |  |         |  | || || |   |           |  |      
search RasMol script viewer Motif-ligand binding stats  betabulge ..  |  |  |  |  ** **                       | |||           |  | |  |      | |             |   |     |  |                   | ||| | |  |  |               ..betabulge.. |  ||  |  | | | |||  |  | ||  || |   |  |       || |||    |  |         |  | || || |   |           |  |      
search RasMol script viewer Motif-ligand binding stats  betaturn ..  |  |  |  |                              ****|           |  | |  |      | |             |   |     |  |                   ****| | |  ****               ..betaturn.. |  |****  | | ****|  |  ****  || |   ****       |****|    |  |         |  | ****| |   |           |  |      
search RasMol script viewer Motif-ligand binding stats  nest ..  |  |  |  |                                ***           |  | |  |      | |             |   |     |  |                     *** ***  |  |               ..nest.. |  |      *** | |||  |    ||  |***   |  |       |  ***    |  |         |  |  |  | |   |           |  |      
search RasMol script viewer Motif-ligand binding stats  niche ..  ****  ****                                              **** ****      ***             |   |     ****                           |  ****               ..niche.. ****          | |||  |    ||  ||     ****       |    |    ****         ****  **** |   |           ****      
search RasMol script viewer Motif-ligand binding stats  schellmannloop ..                                                                                         |   |                                    |                     ..schellmannloop..               | |||  |    ||  ||                ******                            |   |                     
search RasMol script viewer Motif-ligand binding stats  stmotif ..                                                                                         *****                                    |                     ..stmotif..               *****  |    ||  ||                                                  *****                     
search RasMol script viewer Motif-ligand binding stats  ststaple ..                                                                                                                                  |                     ..ststaple..               | |*****    ******                                                                            
search RasMol script viewer Motif-ligand binding stats  stturn ..                                                                                                                                  |                     ..stturn..               ***                                                                                           
search RasMol script viewer Motif-ligand binding stats  Catalytic site ..                                                                                                                                  *                     ..REP00000..                                                                                                             

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