PDB-code
| Kinase structure | |
| Kinase: | PLK1 |
| Family: | PLK |
| Group: | Other |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2168 |
| PDB: | 3THB |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2011-11-23 |
| PubMed: | 22070629 |
| Chain: | A |
| Orthosteric ligand: | 3TA |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 53.2° (15.2Å) |
| G-rich loop rotation: | 66.1° |
| Quality Score: | 8 |
| Resolution: | 2.5 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 21 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front gate | BP-I-B | |||
| Pocket alignment | |
| Uniprot sequence: | RFLGKGGFAKCFEFAGKIVKMSMEISIHRSLAQHVVGFHGFFVVLELCRRRSLLELHKRYLHRNRVIHRDLKLGNLFLIGDFGLA |
| Sequence structure: | RFLGKGGFAKCFEFAGKIVKMSMEISIHRSLAQHVVGFHGFFVVLELCRRRSLLELHKRYLHRNRVIHRDLKLGNLFLIGDFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1945804 |
| Bioaffinities: | 8 records for 7 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Fibroblast growth factor receptor 1 | 6.7 | 6.7 | 6.7 | pIC50 | 1 |
| Homo sapiens | Platelet-derived growth factor receptor beta | 7.3 | 7.3 | 7.3 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase PLK1 | 4.5 | 4.5 | 4.5 | pEC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase PLK1 | 8.7 | 8.7 | 8.7 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase PLK3 | 7.2 | 7.2 | 7.2 | pIC50 | 1 |
| Homo sapiens | Stem cell growth factor receptor | 6.2 | 6.2 | 6.2 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor FLT3 | 6.1 | 6.1 | 6.1 | pIC50 | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 6.9 | 6.9 | 6.9 | pIC50 | 1 |
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 R 57 | 2 F 58 | 3 L 59 | 4 G 60 | 5 K 61 | 6 G 62 | 7 G 63 | 8 F 64 | 9 A 65 | 10 K 66 | 11 C 67 | 12 F 68 | 13 E 69 | 14 F 79 | 15 A 80 | 16 G 81 | 17 K 82 | 18 I 83 | 19 V 84 | 20 K 97 |
| • | • | • | • | • | • | • | |||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 M 98 | 22 S 99 | 23 M 100 | 24 E 101 | 25 I 102 | 26 S 103 | 27 I 104 | 28 H 105 | 29 R 106 | 30 S 107 | 31 L 108 | 32 A 109 | 33 Q 111 | 34 H 112 | 35 V 113 | 36 V 114 | 37 G 115 | 38 F 116 | 39 H 117 | 40 G 118 |
| • | • | ||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 F 119 | 42 F 127 | 43 V 128 | 44 V 129 | 45 L 130 | 46 E 131 | 47 L 132 | 48 C 133 | 49 R 134 | 50 R 135 | 51 R 136 | 52 S 137 | 53 L 138 | 54 L 139 | 55 E 140 | 56 L 141 | 57 H 142 | 58 K 143 | 59 R 144 | 60 Y 166 |
| • | • | • | ••• | • | • | • | • | ••• | |||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 167 | 62 H 168 | 63 R 169 | 64 N 170 | 65 R 171 | 66 V 172 | 67 I 173 | 68 H 174 | 69 R 175 | 70 D 176 | 71 L 177 | 72 K 178 | 73 L 179 | 74 G 180 | 75 N 181 | 76 L 182 | 77 F 183 | 78 L 184 | 79 I 192 | 80 G 193 |
| • | ••• | • | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 194 | 82 F 195 | 83 G 196 | 84 L 197 | 85 A 198 | |||||||||||||||
| •• | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
