PDB-code
| More entries for 5MY8 | |||||
| 5MY8 | Alternative model: | A | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 59.2° (18.7Å) |
| G-rich loop rotation: | 31.6° |
| Quality Score: | 8 |
| Resolution: | 1.7 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-II | Cluster I1 I3 I4 I10 | Ligand No No No No | Protein Yes Yes Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | RKLGWGHFSTVWLVAMKVVTALDEIRLLKSVREMVVQLLDDCMVFEVLG-HHLLKWIIKLHTKCRIIHTDIKPENILLIADLGNA |
| Sequence structure: | RKLGWGHFSTVWLVAMKVVTALDEIRLLKSVREMVVQLLDDCMVFEVLG_HHLLKWIIKLHTKCRIIHTDIKPENILLIADLGNA |
| 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 R 84 | 2 K 85 | 3 L 86 | 4 G 87 | 5 W 88 | 6 G 89 | 7 H 90 | 8 F 91 | 9 S 92 | 10 T 93 | 11 V 94 | 12 W 95 | 13 L 96 | 14 V 106 | 15 A 107 | 16 M 108 | 17 K 109 | 18 V 110 | 19 V 111 | 20 T 120 |
| • | • | • | • | • | • | • | •• | ||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 A 121 | 22 L 122 | 23 D 123 | 24 E 124 | 25 I 125 | 26 R 126 | 27 L 127 | 28 L 128 | 29 K 129 | 30 S 130 | 31 V 131 | 32 R 132 | 33 E 142 | 34 M 143 | 35 V 144 | 36 V 145 | 37 Q 146 | 38 L 147 | 39 L 148 | 40 D 149 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 D 150 | 42 C 162 | 43 M 163 | 44 V 164 | 45 F 165 | 46 E 166 | 47 V 167 | 48 L 168 | 49 G 169 | 50 _ _ | 51 H 170 | 52 H 171 | 53 L 172 | 54 L 173 | 55 K 174 | 56 W 175 | 57 I 176 | 58 I 177 | 59 K 178 | 60 L 203 |
| •• | • | • | •• | • | •• | • | |||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 H 204 | 62 T 205 | 63 K 206 | 64 C 207 | 65 R 208 | 66 I 209 | 67 I 210 | 68 H 211 | 69 T 212 | 70 D 213 | 71 I 214 | 72 K 215 | 73 P 216 | 74 E 217 | 75 N 218 | 76 I 219 | 77 L 220 | 78 L 221 | 79 I 495 | 80 A 496 |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 497 | 82 L 498 | 83 G 499 | 84 N 500 | 85 A 501 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:





