PDB-code
| Kinase structure | |
| Kinase: | ROCK2 |
| Family: | DMPK |
| Group: | AGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1504 |
| PDB: | 7JNT |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2020-09-01 |
| PubMed: | 32805407 |
| Chain: | C |
| (Alternate) Model: | A |
| Orthosteric ligand: | VFA |
 | |
| More entries for 7JNT | |||||
| 7JNT | Alternative model: | A | Chain: | A | |
| 7JNT | Alternative model: | A | Chain: | B | |
| 7JNT | Alternative model: | A | Chain: | D | |
| 7JNT | Alternative model: | A | Chain: | E | |
| 7JNT | Alternative model: | A | Chain: | F | |
| 7JNT | Alternative model: | A | Chain: | G | |
| 7JNT | Alternative model: | A | Chain: | H | |
| 7JNT | Alternative model: | B | Chain: | A | |
| 7JNT | Alternative model: | B | Chain: | B | |
| 7JNT | Alternative model: | B | Chain: | C | |
| 7JNT | Alternative model: | B | Chain: | D | |
| 7JNT | Alternative model: | B | Chain: | E | |
| 7JNT | Alternative model: | B | Chain: | F | |
| 7JNT | Alternative model: | B | Chain: | G | |
| 7JNT | Alternative model: | B | Chain: | H | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 55.8° (17.4Å) |
| G-rich loop rotation: | 78.1° |
| Quality Score: | 9.8 |
| Resolution: | 2.214 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 2 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-II | Cluster I1 I9 | Ligand No No | Protein Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | KVIGRGAFGEVQLYAMKLLFFWEERDIMAFANPWVVQLFYAYMVMEYMPGGDLVNLMSNAIHSMGLIHRDVKPDNMLLLADFGTC |
| Sequence structure: | KVIGRGAFGEVQLYAMKLLFFWEERDIMAFANPWVVQLFYAYMVMEYMPGGDLVNLMSNAIHSMGLIHRDVKPDNMLLLADFGTC |
| 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 96 | 2 V 97 | 3 I 98 | 4 G 99 | 5 R 100 | 6 G 101 | 7 A 102 | 8 F 103 | 9 G 104 | 10 E 105 | 11 V 106 | 12 Q 107 | 13 L 108 | 14 Y 118 | 15 A 119 | 16 M 120 | 17 K 121 | 18 L 122 | 19 L 123 | 20 F 136 |
| • | • | • | • | •• | • | • | • | • | •• | • | • | ||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 137 | 22 W 138 | 23 E 139 | 24 E 140 | 25 R 141 | 26 D 142 | 27 I 143 | 28 M 144 | 29 A 145 | 30 F 146 | 31 A 147 | 32 N 148 | 33 P 150 | 34 W 151 | 35 V 152 | 36 V 153 | 37 Q 154 | 38 L 155 | 39 F 156 | 40 Y 157 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 158 | 42 Y 166 | 43 M 167 | 44 V 168 | 45 M 169 | 46 E 170 | 47 Y 171 | 48 M 172 | 49 P 173 | 50 G 174 | 51 G 175 | 52 D 176 | 53 L 177 | 54 V 178 | 55 N 179 | 56 L 180 | 57 M 181 | 58 S 182 | 59 N 183 | 60 A 204 |
| • | • | •• | •• | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 I 205 | 62 H 206 | 63 S 207 | 64 M 208 | 65 G 209 | 66 L 210 | 67 I 211 | 68 H 212 | 69 R 213 | 70 D 214 | 71 V 215 | 72 K 216 | 73 P 217 | 74 D 218 | 75 N 219 | 76 M 220 | 77 L 221 | 78 L 222 | 79 L 230 | 80 A 231 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 232 | 82 F 233 | 83 G 234 | 84 T 235 | 85 C 236 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
