triangle PDBeMotif: 3qxo  
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Enzyme   2.7.11.22
Classification transferase/transferase inhibitor    | release date: Wed, Mar 2, 2011
Title cdk2 in complex with inhibitor kvr-1-84
Authors A.BECKER, E.SCHONBRUNN, H.HAN, R.ALAM, S.BETZI
Method X-RAY DIFFRACTION (resolution: 1.75Å)
PDBe Citation   
Small molecules:    search X65 X65 binding statistics X65   search EDO EDO binding statistics EDO
Ligand bond colours:   *  covalent   *  ionic   *  hydrogen   *  electrostatic   *  van-der-waals   *  plane-atom   *  plane-plane   *  undefined  - Click here to show 5Å bonds
Chain A sequence:
GPLGSPEFMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHT
ENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAF
GVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTS
MPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
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 : CYCLIN-DEPENDENT KINASE 2
member of: CATH:search1.10.510.10/search3.30.200.20GENE3D:searchG3DSA_1.10.510.10/searchG3DSA_3.30.200.20PANTHER:searchPTHR24056/searchPTHR24056_SF168PFAM:searchPF00069PROSITE PATTERNS:searchPS00107/searchPS00108, PROSITE PROFILES:searchPS50011, SMART:searchSM00220SUPERFAMILY:searchSSF56112UniProt:searchP24941
JMol viewer RasMol script viewer  X65 668A  ..         *       *            *     ..                                        *****                                                *                                                                                                                                                                    
JMol viewer RasMol script viewer  EDO 667A  ..         |       |            |     ..                                        |||||                                                |  **                                                                                                                                                                
sec str:  .......eeeeeee....eeeeee......eeeeee........hhhhhhhhhhhhhh.......eeeeeee..eeeeeee...eehhhhhhhh.....hhhhhhhhhhhhhhhhhhhhhh.......hhh.eee.....eee..........................hhhhhh......hhhhhhhhhhhhhhhhhh.......hhhhhhhhhhhhhh........hhhhh.............hhhhhh...hhhhhhhhhhhh........hhhhhhhhhhhh...........
sequence :  ..MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIR..TEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
seq num:  ..1         11        21        31    ..41        51        61        71        81        91        101       111       121       131       141       151       161       171       181       191       201       211       221       231       241       251       261       271       281       291     
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  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_ST ..|  |                  | || |        ..           |  |  | |  |   ||   |  |                                             | ****^********  | |  |  || |               ||  |     | |   | |          |   | |             |   |        | ||| |  ||  |      | |||    | |      |  | || ||     |  || || |         
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  ststaple ..                         | |        ..                                                                                      | |  |                                |               | |          *****               *****                                                                                
search RasMol script viewer Motif-ligand binding stats  stturn ..                         ***        ..                                                                                      | |  |                                |               ***                                                                                                                   
search RasMol script viewer Motif-ligand binding stats  Catalytic site ..                                    ..                                                                                      * *  *                                *                                                                                                                                     

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