PDB-code
| Kinase structure | |
| Kinase: | STK38 (NDR1) |
| Family: | NDR |
| Group: | AGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1517 |
| PDB: | 6BXI |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2018-08-29 |
| PubMed: | 29983373 |
| Chain: | B |
| Orthosteric ligand: | ANP |
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| More entries for 6BXI | |||
| 6BXI | Chain: | A | |
| Structural information | |
| DFG conformation: | out-like |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 49° (15.6Å) |
| G-rich loop rotation: | 65.5° |
| Quality Score: | 9.6 |
| Resolution: | 2.2 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 4 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-II | Cluster I1 I3 I11 | Ligand No Yes Yes | Protein Yes Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | KVIGRGAFGEVRLYAMKILHIRAERDILVEADLWVVKMFYSYLIMEFLPGGDMMTLLMKSIHQLGFIHRDIKPDNLLLLSDFGLC |
| Sequence structure: | KVIGRGAFGEVRLYAMKILHIRAERDILVEADLWVVKMFYSYLIMEFLPGGDMMTLLMKSIHQLGFIHRDIKPDNLLLLSDFGLC |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1230989 |
| Bioaffinities: | No (p)Ki/(p)IC50/(p)EC50 values for kinases found (confidence ≥ 8). |
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 K 93 | 2 V 94 | 3 I 95 | 4 G 96 | 5 R 97 | 6 G 98 | 7 A 99 | 8 F 100 | 9 G 101 | 10 E 102 | 11 V 103 | 12 R 104 | 13 L 105 | 14 Y 115 | 15 A 116 | 16 M 117 | 17 K 118 | 18 I 119 | 19 L 120 | 20 H 133 |
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 I 134 | 22 R 135 | 23 A 136 | 24 E 137 | 25 R 138 | 26 D 139 | 27 I 140 | 28 L 141 | 29 V 142 | 30 E 143 | 31 A 144 | 32 D 145 | 33 L 147 | 34 W 148 | 35 V 149 | 36 V 150 | 37 K 151 | 38 M 152 | 39 F 153 | 40 Y 154 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 S 155 | 42 Y 163 | 43 L 164 | 44 I 165 | 45 M 166 | 46 E 167 | 47 F 168 | 48 L 169 | 49 P 170 | 50 G 171 | 51 G 172 | 52 D 173 | 53 M 174 | 54 M 175 | 55 T 176 | 56 L 177 | 57 L 178 | 58 M 179 | 59 K 180 | 60 S 202 |
| • | •• | •• | •• | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 I 203 | 62 H 204 | 63 Q 205 | 64 L 206 | 65 G 207 | 66 F 208 | 67 I 209 | 68 H 210 | 69 R 211 | 70 D 212 | 71 I 213 | 72 K 214 | 73 P 215 | 74 D 216 | 75 N 217 | 76 L 218 | 77 L 219 | 78 L 220 | 79 L 228 | 80 S 229 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 230 | 82 F 231 | 83 G 232 | 84 L 233 | 85 C 234 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
