PDB-code
| Kinase structure | |
| Kinase: | AURKC (AurC) |
| Family: | Aur |
| Group: | Other |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1938 |
| PDB: | 6GR8 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2019-05-15 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | F8Z |
 | |
| More entries for 6GR8 | |||||
| 6GR8 | Alternative model: | A | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 60.9° (17.7Å) |
| G-rich loop rotation: | 79° |
| Quality Score: | 9.6 |
| Resolution: | 1.75 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 4 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | ||||
| Pocket alignment | |
| Uniprot sequence: | RPLGKGKFGNVYLVALKVLQLRREIEIQAHLQPNILRLYNYYLILEYAPRGELYKELQKYCHDKKVIHRDIKPENLLLIADFGWS |
| Sequence structure: | RPLGKGKFGNVYLVALKVLQLRREIEIQAHLQPNILRLYNYYLILEYAPRGELYKELQKYCHDKKVIHRDIKPENLLLIADFGWS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL3183436 |
| 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 R 47 | 2 P 48 | 3 L 49 | 4 G 50 | 5 K 51 | 6 G 52 | 7 K 53 | 8 F 54 | 9 G 55 | 10 N 56 | 11 V 57 | 12 Y 58 | 13 L 59 | 14 V 69 | 15 A 70 | 16 L 71 | 17 K 72 | 18 V 73 | 19 L 74 | 20 Q 87 |
| • | • | • | • | •• | •• | • | • | •• | • | • | |||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 88 | 22 R 89 | 23 R 90 | 24 E 91 | 25 I 92 | 26 E 93 | 27 I 94 | 28 Q 95 | 29 A 96 | 30 H 97 | 31 L 98 | 32 Q 99 | 33 P 101 | 34 N 102 | 35 I 103 | 36 L 104 | 37 R 105 | 38 L 106 | 39 Y 107 | 40 N 108 |
| • | •• | • | |||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 Y 109 | 42 Y 117 | 43 L 118 | 44 I 119 | 45 L 120 | 46 E 121 | 47 Y 122 | 48 A 123 | 49 P 124 | 50 R 125 | 51 G 126 | 52 E 127 | 53 L 128 | 54 Y 129 | 55 K 130 | 56 E 131 | 57 L 132 | 58 Q 133 | 59 K 134 | 60 Y 156 |
| • | • | • | • | •• | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 C 157 | 62 H 158 | 63 D 159 | 64 K 160 | 65 K 161 | 66 V 162 | 67 I 163 | 68 H 164 | 69 R 165 | 70 D 166 | 71 I 167 | 72 K 168 | 73 P 169 | 74 E 170 | 75 N 171 | 76 L 172 | 77 L 173 | 78 L 174 | 79 I 182 | 80 A 183 |
| • | • | • | • | ||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 184 | 82 F 185 | 83 G 186 | 84 W 187 | 85 S 188 | |||||||||||||||
| • | • | ||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
