PDB-code
| Kinase structure | |
| Kinase: | PLK2 |
| Family: | PLK |
| Group: | Other |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2169 |
| PDB: | 4I6B |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2013-11-20 |
| PubMed: | 23794260 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | 11G |
 | |
| More entries for 4I6B | |||||
| 4I6B | Alternative model: | A | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 60.6° (17.1Å) |
| G-rich loop rotation: | 66.5° |
| Quality Score: | 8 |
| Resolution: | 1.8 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I2 I4 I5 I7 I10 | Ligand No No Yes No Yes | Protein Yes Yes Yes Yes Yes | |
| Pocket alignment | |
| Uniprot sequence: | KVLGKGGFAKCYEYAAKIIKIDKEIELHRILHKHVVQFYHYYILLEYCSRRSMAHILKAYLHEQEILHRDLKLGNFFIVGDFGLA |
| Sequence structure: | KTLGKGGFAKCYEYAAKIIKIDKEIELHRILHKHVVQFYHYYILLEYCSRRSMAHILKAYLHEQEILHRDLKLGNFFIVGDFGLA |
| 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 86 | 2 T 87 | 3 L 88 | 4 G 89 | 5 K 90 | 6 G 91 | 7 G 92 | 8 F 93 | 9 A 94 | 10 K 95 | 11 C 96 | 12 Y 97 | 13 E 98 | 14 Y 108 | 15 A 109 | 16 A 110 | 17 K 111 | 18 I 112 | 19 I 113 | 20 K 126 |
| • | • | • | • | • | • | • | |||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 I 127 | 22 D 128 | 23 K 129 | 24 E 130 | 25 I 131 | 26 E 132 | 27 L 133 | 28 H 134 | 29 R 135 | 30 I 136 | 31 L 137 | 32 H 138 | 33 K 140 | 34 H 141 | 35 V 142 | 36 V 143 | 37 Q 144 | 38 F 145 | 39 Y 146 | 40 H 147 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 Y 148 | 42 Y 156 | 43 I 157 | 44 L 158 | 45 L 159 | 46 E 160 | 47 Y 161 | 48 C 162 | 49 S 163 | 50 R 164 | 51 R 165 | 52 S 166 | 53 M 167 | 54 A 168 | 55 H 169 | 56 I 170 | 57 L 171 | 58 K 172 | 59 A 173 | 60 Y 195 |
| • | • | •• | •• | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 196 | 62 H 197 | 63 E 198 | 64 Q 199 | 65 E 200 | 66 I 201 | 67 L 202 | 68 H 203 | 69 R 204 | 70 D 205 | 71 L 206 | 72 K 207 | 73 L 208 | 74 G 209 | 75 N 210 | 76 F 211 | 77 F 212 | 78 I 213 | 79 V 221 | 80 G 222 |
| •• | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 223 | 82 F 224 | 83 G 225 | 84 L 226 | 85 A 227 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
