PDB-code
| Kinase structure | |
| Kinase: | PLK4 |
| Family: | PLK |
| Group: | Other |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2171 |
| PDB: | 4YUR |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2015-06-17 |
| PubMed: | 25931445 |
| Chain: | A |
| Orthosteric ligand: | 4J7 |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 65.1° (19.9Å) |
| G-rich loop rotation: | 44.6° |
| Quality Score: | 5.6 |
| Resolution: | 2.65 Å |
| Missing Residues: | 2 |
| Missing Atoms: | 33 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | FP-II | |||
| Pocket alignment | |
| Uniprot sequence: | NLLGKGSFAGVYRVAIKMIRVQNEVKIHCQLKPSILELYNYYLVLEMCHNGEMNRYLKNYLHSHGILHRDLTLSNLLLIADFGLA |
| Sequence structure: | NLLGKGSFAGVYRVAIKMIRVQNEVKIHCQLKPSILELYNYYLVLEMCHNGEMNRYLKNYLHSHGILHRDLTLSNLLLIADFG__ |
| 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 N 16 | 2 L 17 | 3 L 18 | 4 G 19 | 5 K 20 | 6 G 21 | 7 S 22 | 8 F 23 | 9 A 24 | 10 G 25 | 11 V 26 | 12 Y 27 | 13 R 28 | 14 V 38 | 15 A 39 | 16 I 40 | 17 K 41 | 18 M 42 | 19 I 43 | 20 R 56 |
| • | • | •• | • | • | • | • | |||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 V 57 | 22 Q 58 | 23 N 59 | 24 E 60 | 25 V 61 | 26 K 62 | 27 I 63 | 28 H 64 | 29 C 65 | 30 Q 66 | 31 L 67 | 32 K 68 | 33 P 70 | 34 S 71 | 35 I 72 | 36 L 73 | 37 E 74 | 38 L 75 | 39 Y 76 | 40 N 77 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 Y 78 | 42 Y 86 | 43 L 87 | 44 V 88 | 45 L 89 | 46 E 90 | 47 M 91 | 48 C 92 | 49 H 93 | 50 N 94 | 51 G 95 | 52 E 96 | 53 M 97 | 54 N 98 | 55 R 99 | 56 Y 100 | 57 L 101 | 58 K 102 | 59 N 103 | 60 Y 126 |
| • | • | • | • | • | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 127 | 62 H 128 | 63 S 129 | 64 H 130 | 65 G 131 | 66 I 132 | 67 L 133 | 68 H 134 | 69 R 135 | 70 D 136 | 71 L 137 | 72 T 138 | 73 L 139 | 74 S 140 | 75 N 141 | 76 L 142 | 77 L 143 | 78 L 144 | 79 I 152 | 80 A 153 |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 154 | 82 F 155 | 83 G 189 | 84 _ _ | 85 _ _ | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
