PDB-code
| Kinase structure | |
| Kinase: | Stk39 (STLK3) |
| Family: | STE20 |
| Group: | STE |
| Species: | MOUSE |
| PDB: | 5D9H |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2015-09-02 |
| PubMed: | 26208601 |
| Chain: | B |
| Orthosteric ligand: | ATP |
 | |
| More entries for 5D9H | |||
| 5D9H | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 51.1° (15.4Å) |
| G-rich loop rotation: | 39.9° |
| Quality Score: | 8 |
| Resolution: | 3.1 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | ||||
| Pocket alignment | |
| Uniprot sequence: | EVIGSGATAVVQAVAIKRIELLKEIQAMSQCSPNVVTYYTSWLVMKLLSGGSMLDIIKYYLHRNGQIHRDLKAGNILLIADFGVS |
| Sequence structure: | EVIGSGATAVVQAVAIKRIELLKEIQAMSQCSPNVVTYYTSWLVMKLLSGGSMLDIIKYYLHRNGQIHRDLKAGNILLIADFGVS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL14249 |
| Bioaffinities: | 4 records for 2 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | MAP kinase-activated protein kinase 2 | 5.2 | 4.9 | 5.6 | pIC50 | 3 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 7 | 5.6 | 5.6 | 5.6 | pKd | 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 E 79 | 2 V 80 | 3 I 81 | 4 G 82 | 5 S 83 | 6 G 84 | 7 A 85 | 8 T 86 | 9 A 87 | 10 V 88 | 11 V 89 | 12 Q 90 | 13 A 91 | 14 V 101 | 15 A 102 | 16 I 103 | 17 K 104 | 18 R 105 | 19 I 106 | 20 E 117 |
| • | • | • | • | •• | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 118 | 22 L 119 | 23 K 120 | 24 E 121 | 25 I 122 | 26 Q 123 | 27 A 124 | 28 M 125 | 29 S 126 | 30 Q 127 | 31 C 128 | 32 S 129 | 33 P 131 | 34 N 132 | 35 V 133 | 36 V 134 | 37 T 135 | 38 Y 136 | 39 Y 137 | 40 T 138 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 S 139 | 42 W 147 | 43 L 148 | 44 V 149 | 45 M 150 | 46 K 151 | 47 L 152 | 48 L 153 | 49 S 154 | 50 G 155 | 51 G 156 | 52 S 157 | 53 M 158 | 54 L 159 | 55 D 160 | 56 I 161 | 57 I 162 | 58 K 163 | 59 Y 164 | 60 Y 194 |
| • | • | •• | • | •• | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 195 | 62 H 196 | 63 R 197 | 64 N 198 | 65 G 199 | 66 Q 200 | 67 I 201 | 68 H 202 | 69 R 203 | 70 D 204 | 71 L 205 | 72 K 206 | 73 A 207 | 74 G 208 | 75 N 209 | 76 I 210 | 77 L 211 | 78 L 212 | 79 I 220 | 80 A 221 |
| • | •• | • | • | ||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 222 | 82 F 223 | 83 G 224 | 84 V 225 | 85 S 226 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
