PDB-code
| Kinase structure | |
| Kinase: | PLK1 |
| Family: | PLK |
| Group: | Other |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2168 |
| PDB: | 8BJT |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2023-04-26 |
| PubMed: | 37197456 |
| Chain: | A |
| Orthosteric ligand: | 8X7 |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 55.2° (15.8Å) |
| G-rich loop rotation: | 64.6° |
| Quality Score: | 8 |
| Resolution: | 2.188 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | BP-I-B | Cluster I2 | Ligand No | Protein Yes |
| Pocket alignment | |
| Uniprot sequence: | RFLGKGGFAKCFEFAGKIVKMSMEISIHRSLAQHVVGFHGFFVVLELCRRRSLLELHKRYLHRNRVIHRDLKLGNLFLIGDFGLA |
| Sequence structure: | RFLGKGGFAKCFEFAGKIVKMSMEISIHRSLAQHVVGFHGFFVVLELCRRRSLLELHKRYLHRNRVIHRDLKLGNLFLIGDFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1976040 |
| Bioaffinities: | 39 records for 26 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Casein kinase I alpha | 5.4 | 5.4 | 5.4 | pKi | 1 |
| Homo sapiens | Cyclin-dependent kinase 5 | 6.2 | 6.2 | 6.2 | pKi | 1 |
| Homo sapiens | Dual specificity protein kinase CLK4 | 6 | 6 | 6 | pKi | 1 |
| Homo sapiens | Focal adhesion kinase 1 | 5.3 | 5.3 | 5.3 | pKi | 1 |
| Homo sapiens | Inhibitor of nuclear factor kappa B kinase epsilon subunit | 5.8 | 5.8 | 5.8 | pKi | 1 |
| Homo sapiens | Leucine-rich repeat serine/threonine-protein kinase 2 | 6.4 | 6.4 | 6.4 | pKi | 1 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 4 | 5.8 | 5.8 | 5.8 | pKi | 1 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 5 | 6 | 6 | 6 | pKi | 1 |
| Homo sapiens | Protein kinase C nu | 6 | 6 | 6 | pKi | 1 |
| Homo sapiens | Protein kinase C theta | 6.1 | 6.1 | 6.1 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase NEK2 | 6.1 | 6.1 | 6.1 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase PAK 4 | 5.6 | 5.6 | 5.6 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase PLK1 | 8.5 | 8.5 | 8.5 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase TAO1 | 6 | 6 | 6 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase TBK1 | 6 | 6 | 6 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase WEE1 | 8.3 | 8.3 | 8.3 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase WEE1 | 7.9 | 7.9 | 8.5 | pKd | 2 |
| Homo sapiens | Tyrosine- and threonine-specific cdc2-inhibitory kinase | 5.3 | 5.3 | 5.9 | pIC50 | 2 |
| Homo sapiens | Tyrosine- and threonine-specific cdc2-inhibitory kinase | 6.5 | 6.5 | 6.5 | pKd | 1 |
| Homo sapiens | Tyrosine- and threonine-specific cdc2-inhibitory kinase | 6.2 | 6.2 | 6.3 | pKi | 2 |
| Homo sapiens | Tyrosine kinase non-receptor protein 2 | 6.3 | 6.3 | 6.3 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase ABL | 6.5 | 6.5 | 6.5 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase FYN | 5.8 | 5.8 | 5.8 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase JAK2 | 7 | 7 | 7 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase JAK2 | 5.9 | 5.9 | 5.9 | pKi | 2 |
| Homo sapiens | Tyrosine-protein kinase JAK3 | 7.6 | 7.6 | 7.6 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase JAK3 | 5.9 | 5.9 | 5.9 | pKi | 2 |
| Homo sapiens | Tyrosine-protein kinase LCK | 6.4 | 6.4 | 6.4 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor TYRO3 | 5.7 | 5.7 | 5.7 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase SYK | 6.7 | 6.7 | 6.7 | pKi | 1 |
| Homo sapiens | Wee1-like protein kinase 2 | 7.6 | 7.6 | 8.4 | pKd | 2 |
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:
