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Enzyme   2.7.11.22
Classification transferase/transferase inhibitor    | release date: Wed, Feb 23, 2011
Title cdk2 in complex with inhibitor rc-2-12
Authors A.BECKER, E.SCHONBRUNN, H.HAN, R.ALAM, S.BETZI
Method X-RAY DIFFRACTION (resolution: 1.90Å)
PDBe Citation   
Small molecules:    search X46 X46 binding statistics X46
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  X46 299A  ..          **     *            * *   ..                   *                **** *  *                                         ** *         *          ..                                                                                                                                        
sec str:  .....eeeeeeeee....eeeeeee.....eeeeeee...hhhhhhhhhhhh.........eeeeeee..eeeeeee...eehhhhhhhh.....hhhhhhhhhhhhhhhhhhhhhh.......hhh.eee.....eee...hhhhhh...........hhhhhh......hhhhhhhhhhhhhhhhhh.......hhhhhhhhhhhhhh........hhhhh.............hhhhhh...hhhhhhhhhhhh........hhhhhhhhhhhh...........
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  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 ..                         ***        ..                                                                                  | |  |                      ..  |               ***              ***                                                                                                  
search RasMol script viewer Motif-ligand binding stats  Catalytic site ..                                    ..                                                                                  * *  *                      ..  *                                                                                                                                     

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