PDB-code
This structure has been superseded by 5UU1
| Kinase structure | |
| Kinase: | VRK2 |
| Family: | VRK |
| Group: | CK1 |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2276 |
| PDB: | 5TKX |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2016-11-02 |
| Chain: | A |
| Orthosteric ligand: | 7DZ |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 53.2° (15.3Å) |
| G-rich loop rotation: | 53.9° |
| Quality Score: | 8.1 |
| Resolution: | 1.91 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 19 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate | BP-I-B | Cluster I1 I5 | Ligand Yes Yes | Protein Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | KKIGSGGFGLIYLHVVKVEPLFSELKFYQRVALGIPLFYGSFMVMERLG-IDLQKISGQYIHENEYVHGDIKAANLLLLADYGLS |
| Sequence structure: | KKIGSGGFGLIYLHVVKVEPLFSELKFYQRVALGIPLFYGSFMVMERLG_IDLQKISGQYIHENEYVHGDIKAANLLLLADYGLS |
| 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 K 33 | 2 K 34 | 3 I 35 | 4 G 36 | 5 S 37 | 6 G 38 | 7 G 39 | 8 F 40 | 9 G 41 | 10 L 42 | 11 I 43 | 12 Y 44 | 13 L 45 | 14 H 58 | 15 V 59 | 16 V 60 | 17 K 61 | 18 V 62 | 19 E 63 | 20 P 69 |
| • | • | • | • | • | •• | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 70 | 22 F 71 | 23 S 72 | 24 E 73 | 25 L 74 | 26 K 75 | 27 F 76 | 28 Y 77 | 29 Q 78 | 30 R 79 | 31 V 80 | 32 A 81 | 33 L 98 | 34 G 99 | 35 I 100 | 36 P 101 | 37 L 102 | 38 F 103 | 39 Y 104 | 40 G 105 |
| • | • | ||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 S 106 | 42 F 118 | 43 M 119 | 44 V 120 | 45 M 121 | 46 E 122 | 47 R 123 | 48 L 124 | 49 G 125 | 50 _ _ | 51 I 126 | 52 D 127 | 53 L 128 | 54 Q 129 | 55 K 130 | 56 I 131 | 57 S 132 | 58 G 133 | 59 Q 134 | 60 Y 156 |
| • | • | • | •• | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 I 157 | 62 H 158 | 63 E 159 | 64 N 160 | 65 E 161 | 66 Y 162 | 67 V 163 | 68 H 164 | 69 G 165 | 70 D 166 | 71 I 167 | 72 K 168 | 73 A 169 | 74 A 170 | 75 N 171 | 76 L 172 | 77 L 173 | 78 L 174 | 79 L 184 | 80 A 185 |
| • | • | • | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 186 | 82 Y 187 | 83 G 188 | 84 L 189 | 85 S 190 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
