triangle PDBeMotif: 3r7u  
  coner Sequences coner   coner 3D motifs coner   coner Ligand environment coner   coner Ligand bonds coner
   
coner
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Enzyme   2.7.11.22
Classification transferase/transferase inhibitor    | release date: Wed, Mar 23, 2011
Title cdk2 in complex with inhibitor kvr-1-75
Authors A.BECKER, E.SCHONBRUNN, H.HAN, R.ALAM, S.BETZI
Method X-RAY DIFFRACTION (resolution: 1.75Å)
PDBe Citation   
Small molecules:    search X96 X96 binding statistics X96   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  X96 523A  ..       * *       *            *     ..                                    *****                                                *                    ..                                                                                                                                        
JMol viewer RasMol script viewer  EDO 522A  ..       | |       |            |     ..                                    |||||                                                |                    ..                                                                                              *  **                                     
sec str:  .....eeeeeeeee....eeeeeee.....eeeeeee...hhhhhhhhhhhh.........eeeeeee..eeeeeee...eehhhhhhhh.....hhhhhhhhhhhhhhhhhhhhhh.......hhh.eee.....eee...hhhhhh...........hhhhhh......hhhhhhhhhhhhhhhhhh.......hhhhhhhhhhhhhh........hhhhh.............hhhhhh...hhhhhhhhhhhh........hhhhhhhhhhhhhh.........
sequence :  ..MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIR..PSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGV..VVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
seq num:  ..1         11        21        31    ..45        55        65        75        85        95        105       115       125       135       145       ..163       173       183       193       203       213       223       233       243       253       263       273       283       293   
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  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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