PDB-code
| Kinase structure | |
| Kinase: | Aak1 (AAK1) |
| Family: | NAK |
| Group: | Other |
| Species: | MOUSE |
| PDB: | 7LVI |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2021-07-28 |
| PubMed: | 34270254 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | YFY |
 | |
| More entries for 7LVI | |||||
| 7LVI | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 49.9° (15.7Å) |
| G-rich loop rotation: | 48.5° |
| Quality Score: | 7.6 |
| Resolution: | 2.2 Å |
| Missing Residues: | 1 |
| Missing Atoms: | 42 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | FP-II | |||
| Pocket alignment | |
| Uniprot sequence: | EVLAEGGFALVFLCALKRMVCKREIQIMRDLSKNIVGYIDSLILMDFCRGGQVVNLMNQHQCKTPIIHRDLKVENILLLCDFGSA |
| Sequence structure: | EVLAEGGFALVFLCALKRMVCKREIQIMRDL_KNIVGYIDSLILMDFCRGGQVVNLMNQHQCKTPIIHRDLKVENILLLCDFGSA |
| Ligand affinity | |
| Ligand not found in ChEMBL. | |
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 50 | 2 V 51 | 3 L 52 | 4 A 53 | 5 E 54 | 6 G 55 | 7 G 56 | 8 F 57 | 9 A 58 | 10 L 59 | 11 V 60 | 12 F 61 | 13 L 62 | 14 C 71 | 15 A 72 | 16 L 73 | 17 K 74 | 18 R 75 | 19 M 76 | 20 V 86 |
| • | • | • | • | • | • | • | • | • | |||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 C 87 | 22 K 88 | 23 R 89 | 24 E 90 | 25 I 91 | 26 Q 92 | 27 I 93 | 28 M 94 | 29 R 95 | 30 D 96 | 31 L 97 | 32 _ _ | 33 K 101 | 34 N 102 | 35 I 103 | 36 V 104 | 37 G 105 | 38 Y 106 | 39 I 107 | 40 D 108 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 S 109 | 42 L 123 | 43 I 124 | 44 L 125 | 45 M 126 | 46 D 127 | 47 F 128 | 48 C 129 | 49 R 130 | 50 G 131 | 51 G 132 | 52 Q 133 | 53 V 134 | 54 V 135 | 55 N 136 | 56 L 137 | 57 M 138 | 58 N 139 | 59 Q 140 | 60 H 166 |
| • | • | •• | •• | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 Q 167 | 62 C 168 | 63 K 169 | 64 T 170 | 65 P 171 | 66 I 172 | 67 I 173 | 68 H 174 | 69 R 175 | 70 D 176 | 71 L 177 | 72 K 178 | 73 V 179 | 74 E 180 | 75 N 181 | 76 I 182 | 77 L 183 | 78 L 184 | 79 L 192 | 80 C 193 |
| • | •• | • | • | ||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 194 | 82 F 195 | 83 G 196 | 84 S 197 | 85 A 198 | |||||||||||||||
| •• | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
