PDB-code
| Kinase structure | |
| Kinase: | MAPK10 (JNK3) |
| Family: | MAPK |
| Group: | CMGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1498 |
| PDB: | 3G9N |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2009-02-24 |
| PubMed: | 19361991 |
| Chain: | A |
| Orthosteric ligand: | J88 |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 48.5° (14.9Å) |
| G-rich loop rotation: | 53.4° |
| Quality Score: | 7.6 |
| Resolution: | 2.8 Å |
| Missing Residues: | 1 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I2 | Ligand No | Protein Yes | |
| Pocket alignment | |
| Uniprot sequence: | KPIGSGAQGIVCAVAIKKLRAYRELVLMKCVNKNIISLLNVYLVMELMD-ANLCQVIQMHLHSAGIIHRDLKPSNIVVILDFGLA |
| Sequence structure: | KPIGSG_QGIVCAVAIKKLRAYRELVLMKCVNKNIISLLNVYLVMELMD_ANLCQVIQMHLHSAGIIHRDLKPSNIVVILDFGLA |
| 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 24 | 2 P 25 | 3 I 26 | 4 G 27 | 5 S 28 | 6 G 29 | 7 _ _ | 8 Q 31 | 9 G 32 | 10 I 33 | 11 V 34 | 12 C 35 | 13 A 36 | 14 V 46 | 15 A 47 | 16 I 48 | 17 K 49 | 18 K 50 | 19 L 51 | 20 R 63 |
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 A 64 | 22 Y 65 | 23 R 66 | 24 E 67 | 25 L 68 | 26 V 69 | 27 L 70 | 28 M 71 | 29 K 72 | 30 C 73 | 31 V 74 | 32 N 75 | 33 K 77 | 34 N 78 | 35 I 79 | 36 I 80 | 37 S 81 | 38 L 82 | 39 L 83 | 40 N 84 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 85 | 42 Y 99 | 43 L 100 | 44 V 101 | 45 M 102 | 46 E 103 | 47 L 104 | 48 M 105 | 49 D 106 | 50 _ _ | 51 A 107 | 52 N 108 | 53 L 109 | 54 C 110 | 55 Q 111 | 56 V 112 | 57 I 113 | 58 Q 114 | 59 M 115 | 60 H 135 |
| • | • | ••• | • | • | • | • | |||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 136 | 62 H 137 | 63 S 138 | 64 A 139 | 65 G 140 | 66 I 141 | 67 I 142 | 68 H 143 | 69 R 144 | 70 D 145 | 71 L 146 | 72 K 147 | 73 P 148 | 74 S 149 | 75 N 150 | 76 I 151 | 77 V 152 | 78 V 153 | 79 I 161 | 80 L 162 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 163 | 82 F 164 | 83 G 165 | 84 L 166 | 85 A 167 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
