PDB-code
| Kinase structure | |
| Kinase: | SLK |
| Family: | STE20 |
| Group: | STE |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2200 |
| PDB: | 8BEM |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2022-11-09 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | AV9 |
 | |
| More entries for 8BEM | |||||
| 8BEM | Alternative model: | A | Chain: | A | |
| Structural information | |
| DFG conformation: | out |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 55.6° (16.8Å) |
| G-rich loop rotation: | 35.1° |
| Quality Score: | 6.6 |
| Resolution: | 2.6 Å |
| Missing Residues: | 4 |
| Missing Atoms: | 18 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front gate back | BP-I-A BP-I-B BP-II-B-in | |||
| Pocket alignment | |
| Uniprot sequence: | GELGDGAFGKVYKAAAKVIDYMVEIDILASCDPNIVKLLDAWILIEFCAGGAVDAVMLEYLHDNKIIHRDLKAGNILFLADFGVS |
| Sequence structure: | GELGDG__GKVYKAAAKVIDYMVEIDILASCDPNIVKLLDAWILIEFCAGGAVDAVMLEYLHDNKIIHRDLKAGNILFLADFG__ |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1289494 |
| Bioaffinities: | 10 records for 5 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Ephrin type-B receptor 2 | 7.8 | 7.8 | 7.8 | pIC50 | 1 |
| Homo sapiens | Platelet-derived growth factor receptor alpha | 8.7 | 8.7 | 8.7 | pIC50 | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 1 | 8.2 | 8.2 | 9.7 | pIC50 | 2 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 8.7 | 6.5 | 9.8 | pIC50 | 4 |
| Homo sapiens | Vascular endothelial growth factor receptor 3 | 8.5 | 8.5 | 9.6 | 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 G 38 | 2 E 39 | 3 L 40 | 4 G 41 | 5 D 42 | 6 G 43 | 7 _ _ | 8 _ _ | 9 G 46 | 10 K 47 | 11 V 48 | 12 Y 49 | 13 K 50 | 14 A 60 | 15 A 61 | 16 A 62 | 17 K 63 | 18 V 64 | 19 I 65 | 20 D 75 |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 Y 76 | 22 M 77 | 23 V 78 | 24 E 79 | 25 I 80 | 26 D 81 | 27 I 82 | 28 L 83 | 29 A 84 | 30 S 85 | 31 C 86 | 32 D 87 | 33 P 89 | 34 N 90 | 35 I 91 | 36 V 92 | 37 K 93 | 38 L 94 | 39 L 95 | 40 D 96 |
| • | • | • | • | ||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 97 | 42 W 105 | 43 I 106 | 44 L 107 | 45 I 108 | 46 E 109 | 47 F 110 | 48 C 111 | 49 A 112 | 50 G 113 | 51 G 114 | 52 A 115 | 53 V 116 | 54 D 117 | 55 A 118 | 56 V 119 | 57 M 120 | 58 L 121 | 59 E 122 | 60 Y 145 |
| • | • | • | •• | •• | • | • | |||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 146 | 62 H 147 | 63 D 148 | 64 N 149 | 65 K 150 | 66 I 151 | 67 I 152 | 68 H 153 | 69 R 154 | 70 D 155 | 71 L 156 | 72 K 157 | 73 A 158 | 74 G 159 | 75 N 160 | 76 I 161 | 77 L 162 | 78 F 163 | 79 L 171 | 80 A 172 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 173 | 82 F 174 | 83 G 175 | 84 _ _ | 85 _ _ | |||||||||||||||
| •• | •• | ||||||||||||||||||
Interaction pattern search
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