PDB-code
| Kinase structure | |
| Kinase: | STK24 (MST3) |
| Family: | STE20 |
| Group: | STE |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2217 |
| PDB: | 4QMX |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2015-07-01 |
| PubMed: | 27135311 |
| Chain: | A |
| Orthosteric ligand: | H8H |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 60.2° (17.5Å) |
| G-rich loop rotation: | 74.5° |
| Quality Score: | 8 |
| Resolution: | 1.88 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate | BP-I-A BP-I-B | Cluster I4 I5 I6 I10 | Ligand No No Yes No | Protein Yes Yes No Yes |
| Pocket alignment | |
| Uniprot sequence: | EKIGKGSFGEVFKVAIKIIDIQQEITVLSQCDPYVTKYYGSWIIMEYLGGGSALDLLEPYLHSEKKIHRDIKAANVLLLADFGVA |
| Sequence structure: | EKIGKGSFGEVFKVAIKIIDIQQEITVLSQCDPYVTKYYGSWIIMEYLGGGSALDLLEPYLHSEKKIHRDIKAANVLLLADFGVA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL217092 |
| Bioaffinities: | 35 records for 11 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Cyclin-dependent kinase 2 | 5 | 5 | 5 | pIC50 | 1 |
| Homo sapiens | Epidermal growth factor receptor erbB1 | 5.6 | 5.6 | 5.6 | pIC50 | 3 |
| Homo sapiens | Platelet-derived growth factor receptor alpha | 5 | 5 | 5 | pIC50 | 1 |
| Homo sapiens | Stem cell growth factor receptor | 6.7 | 6.7 | 6.7 | pIC50 | 3 |
| Homo sapiens | Tyrosine- and threonine-specific cdc2-inhibitory kinase | 5 | 5 | 6.4 | pIC50 | 2 |
| Homo sapiens | Tyrosine- and threonine-specific cdc2-inhibitory kinase | 5.6 | 5.6 | 5.6 | pKd | 1 |
| Homo sapiens | Tyrosine- and threonine-specific cdc2-inhibitory kinase | 5.3 | 5.3 | 7.4 | pKi | 2 |
| Homo sapiens | Tyrosine-protein kinase ABL | 7.5 | 7.5 | 7.5 | pIC50 | 3 |
| Homo sapiens | Tyrosine-protein kinase CSK | 6.1 | 6.1 | 6.1 | pIC50 | 3 |
| Homo sapiens | Tyrosine-protein kinase LCK | 8.4 | 8.4 | 8.4 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase SRC | 8.5 | 7.1 | 9 | pIC50 | 8 |
| Homo sapiens | Tyrosine-protein kinase YES | 8.4 | 8.2 | 9.2 | pIC50 | 5 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 4.7 | 4.7 | 4.7 | pIC50 | 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 E 28 | 2 K 29 | 3 I 30 | 4 G 31 | 5 K 32 | 6 G 33 | 7 S 34 | 8 F 35 | 9 G 36 | 10 E 37 | 11 V 38 | 12 F 39 | 13 K 40 | 14 V 50 | 15 A 51 | 16 I 52 | 17 K 53 | 18 I 54 | 19 I 55 | 20 D 66 |
| • | • | • | • | • | • | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 I 67 | 22 Q 68 | 23 Q 69 | 24 E 70 | 25 I 71 | 26 T 72 | 27 V 73 | 28 L 74 | 29 S 75 | 30 Q 76 | 31 C 77 | 32 D 78 | 33 P 80 | 34 Y 81 | 35 V 82 | 36 T 83 | 37 K 84 | 38 Y 85 | 39 Y 86 | 40 G 87 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 S 88 | 42 W 96 | 43 I 97 | 44 I 98 | 45 M 99 | 46 E 100 | 47 Y 101 | 48 L 102 | 49 G 103 | 50 G 104 | 51 G 105 | 52 S 106 | 53 A 107 | 54 L 108 | 55 D 109 | 56 L 110 | 57 L 111 | 58 E 112 | 59 P 113 | 60 Y 134 |
| • | • | •• | •• | • | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 135 | 62 H 136 | 63 S 137 | 64 E 138 | 65 K 139 | 66 K 140 | 67 I 141 | 68 H 142 | 69 R 143 | 70 D 144 | 71 I 145 | 72 K 146 | 73 A 147 | 74 A 148 | 75 N 149 | 76 V 150 | 77 L 151 | 78 L 152 | 79 L 160 | 80 A 161 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 162 | 82 F 163 | 83 G 164 | 84 V 165 | 85 A 166 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
