PDB-code
| Kinase structure | |
| Kinase: | MARK3 |
| Family: | CAMKL |
| Group: | CAMK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2099 |
| PDB: | 7P1L |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2021-07-14 |
| PubMed: | 34333981 |
| Chain: | A |
| Orthosteric ligand: | V5E |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 53.8° (15.7Å) |
| G-rich loop rotation: | 46.8° |
| Quality Score: | 8 |
| Resolution: | 1.95 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 50 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I11 | Ligand No | Protein No | |
| Pocket alignment | |
| Uniprot sequence: | KTIGKGNFAKVKLVAIKIIKLFREVRIMKILNPNIVKLFEVYLIMEYASGGEVFDYLVAYCHQKRIVHRDLKAENLLLIADFGFS |
| Sequence structure: | KTIGKGNFAKVKLVAIKIIKLFREVRIMKILNPNIVKLFEVYLIMEYASGGEVFDYLVAYCHQKRIVHRDLKAENLLLIADFGFS |
| 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 K 60 | 2 T 61 | 3 I 62 | 4 G 63 | 5 K 64 | 6 G 65 | 7 N 66 | 8 F 67 | 9 A 68 | 10 K 69 | 11 V 70 | 12 K 71 | 13 L 72 | 14 V 82 | 15 A 83 | 16 I 84 | 17 K 85 | 18 I 86 | 19 I 87 | 20 K 99 |
| •• | •• | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 100 | 22 F 101 | 23 R 102 | 24 E 103 | 25 V 104 | 26 R 105 | 27 I 106 | 28 M 107 | 29 K 108 | 30 I 109 | 31 L 110 | 32 N 111 | 33 P 113 | 34 N 114 | 35 I 115 | 36 V 116 | 37 K 117 | 38 L 118 | 39 F 119 | 40 E 120 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 121 | 42 Y 129 | 43 L 130 | 44 I 131 | 45 M 132 | 46 E 133 | 47 Y 134 | 48 A 135 | 49 S 136 | 50 G 137 | 51 G 138 | 52 E 139 | 53 V 140 | 54 F 141 | 55 D 142 | 56 Y 143 | 57 L 144 | 58 V 145 | 59 A 146 | 60 Y 168 |
| • | • | •• | ••• | • | • | •• | |||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 C 169 | 62 H 170 | 63 Q 171 | 64 K 172 | 65 R 173 | 66 I 174 | 67 V 175 | 68 H 176 | 69 R 177 | 70 D 178 | 71 L 179 | 72 K 180 | 73 A 181 | 74 E 182 | 75 N 183 | 76 L 184 | 77 L 185 | 78 L 186 | 79 I 194 | 80 A 195 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 196 | 82 F 197 | 83 G 198 | 84 F 199 | 85 S 200 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
