PDB-code
| Kinase structure | |
| Kinase: | CDKL3 |
| Family: | CDKL |
| Group: | CMGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1984 |
| PDB: | 3ZDU |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2013-03-20 |
| PubMed: | 29420175 |
| Chain: | A |
| Orthosteric ligand: | 38R |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 52.2° (16.3Å) |
| G-rich loop rotation: | 66.7° |
| Quality Score: | 8.5 |
| Resolution: | 2.2 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 15 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I1 I5 | Ligand Yes No | Protein Yes Yes | |
| Pocket alignment | |
| Uniprot sequence: | GKVGEGSYGTVMKVAIKIFIAMREIKFLKQFHENLVNLIEVHLVFEFID-HTVLDELQHYLHSNNIIHRDIKPENILVLCDFGFA |
| Sequence structure: | GKVGEGSYGTVMKVAIKIFIAMREIKFLKQFHENLVNLIEVHLVFEFID_HTVLDELQHYLHSNNIIHRDIKPENILVLCDFGFA |
| Ligand affinity | |
| Ligand not found in ChEMBL. | |
Kinase-ligand interaction pattern
• Hydrophobic • Aromatic face-to-face • Aromatic face-to-edge • H-bond donor • H-bond acceptor • Ionic positive • Ionic negative
| I | g.l | II | III | αC | |||||||||||||||
| 1 G 8 | 2 K 9 | 3 V 10 | 4 G 11 | 5 E 12 | 6 G 13 | 7 S 14 | 8 Y 15 | 9 G 16 | 10 T 17 | 11 V 18 | 12 M 19 | 13 K 20 | 14 V 30 | 15 A 31 | 16 I 32 | 17 K 33 | 18 I 34 | 19 F 35 | 20 I 46 |
| •• | • | • | • | •• | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 A 47 | 22 M 48 | 23 R 49 | 24 E 50 | 25 I 51 | 26 K 52 | 27 F 53 | 28 L 54 | 29 K 55 | 30 Q 56 | 31 F 57 | 32 H 58 | 33 E 60 | 34 N 61 | 35 L 62 | 36 V 63 | 37 N 64 | 38 L 65 | 39 I 66 | 40 E 67 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 68 | 42 H 76 | 43 L 77 | 44 V 78 | 45 F 79 | 46 E 80 | 47 F 81 | 48 I 82 | 49 D 83 | 50 _ _ | 51 H 84 | 52 T 85 | 53 V 86 | 54 L 87 | 55 D 88 | 56 E 89 | 57 L 90 | 58 Q 91 | 59 H 92 | 60 Y 115 |
| • | • | •• | • | • | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 116 | 62 H 117 | 63 S 118 | 64 N 119 | 65 N 120 | 66 I 121 | 67 I 122 | 68 H 123 | 69 R 124 | 70 D 125 | 71 I 126 | 72 K 127 | 73 P 128 | 74 E 129 | 75 N 130 | 76 I 131 | 77 L 132 | 78 V 133 | 79 L 141 | 80 C 142 |
| • | • | • | • | ||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 143 | 82 F 144 | 83 G 145 | 84 F 146 | 85 A 147 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
