PDB-code
| Kinase structure | |
| Kinase: | STK25 (YSK1) |
| Family: | STE20 |
| Group: | STE |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2218 |
| PDB: | 4NZW |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2014-12-03 |
| PubMed: | 24746913 |
| Chain: | B |
| Orthosteric ligand: | J60 |
 | |
| Structural information | |
| DFG conformation: | out-like |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 57.8° (16.9Å) |
| G-rich loop rotation: | 8.2° |
| Quality Score: | 8 |
| Resolution: | 3.58 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | FP-I | |||
| Pocket alignment | |
| Uniprot sequence: | DRIGKGSFGEVYKVAIKIIDIQQEITVLSQCDPYITRYFGSWIIMEYLGGGSALDLLKPYLHSERKIHRDIKAANVLLLADFGVA |
| Sequence structure: | DRIGKGSFGEVYKVAIKIIDIQQEITVLSQCDPYITRYFGSWIIMEYLGGGSALDLLKPYLHSERKIHRDIKAANVLLLAAFGVA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL13485 |
| Bioaffinities: | 12 records for 7 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Epidermal growth factor receptor erbB1 | 5.5 | 5.5 | 5.5 | pIC50 | 1 |
| Homo sapiens | Fibroblast growth factor receptor 1 | 6.8 | 6.8 | 6.8 | pIC50 | 2 |
| Homo sapiens | Maternal embryonic leucine zipper kinase | 6.1 | 6.1 | 6.1 | pIC50 | 1 |
| Homo sapiens | Platelet-derived growth factor receptor beta | 8.5 | 5.5 | 8.5 | pIC50 | 3 |
| Homo sapiens | Serine/threonine-protein kinase NEK2 | 5.1 | 5.1 | 5.1 | pIC50 | 1 |
| Homo sapiens | Stem cell growth factor receptor | 8 | 8 | 8 | pIC50 | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 7.6 | 5.5 | 7.6 | pIC50 | 3 |
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 D 24 | 2 R 25 | 3 I 26 | 4 G 27 | 5 K 28 | 6 G 29 | 7 S 30 | 8 F 31 | 9 G 32 | 10 E 33 | 11 V 34 | 12 Y 35 | 13 K 36 | 14 V 46 | 15 A 47 | 16 I 48 | 17 K 49 | 18 I 50 | 19 I 51 | 20 D 62 |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 I 63 | 22 Q 64 | 23 Q 65 | 24 E 66 | 25 I 67 | 26 T 68 | 27 V 69 | 28 L 70 | 29 S 71 | 30 Q 72 | 31 C 73 | 32 D 74 | 33 P 76 | 34 Y 77 | 35 I 78 | 36 T 79 | 37 R 80 | 38 Y 81 | 39 F 82 | 40 G 83 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 S 84 | 42 W 92 | 43 I 93 | 44 I 94 | 45 M 95 | 46 E 96 | 47 Y 97 | 48 L 98 | 49 G 99 | 50 G 100 | 51 G 101 | 52 S 102 | 53 A 103 | 54 L 104 | 55 D 105 | 56 L 106 | 57 L 107 | 58 K 108 | 59 P 109 | 60 Y 130 |
| • | •• | • | • | • | • | • | |||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 131 | 62 H 132 | 63 S 133 | 64 E 134 | 65 R 135 | 66 K 136 | 67 I 137 | 68 H 138 | 69 R 139 | 70 D 140 | 71 I 141 | 72 K 142 | 73 A 143 | 74 A 144 | 75 N 145 | 76 V 146 | 77 L 147 | 78 L 148 | 79 L 156 | 80 A 157 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 A 158 | 82 F 159 | 83 G 160 | 84 V 161 | 85 A 162 | |||||||||||||||
| • | • | ||||||||||||||||||
Interaction pattern search
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