PDB-code
| Kinase structure | |
| Kinase: | MAPK9 (JNK2) |
| Family: | MAPK |
| Group: | CMGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1497 |
| PDB: | 7N8T |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2022-06-22 |
| PubMed: | 36826833 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | AMP |
 | |
| More entries for 7N8T | |||||
| 7N8T | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 53.1° (16.1Å) |
| G-rich loop rotation: | 86.6° |
| Quality Score: | 8 |
| Resolution: | 1.69 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I1 I4 I10 | Ligand Yes No Yes | Protein Yes No Yes | |
| Pocket alignment | |
| Uniprot sequence: | KPIGSGAQGIVCAVAVKKLRAYRELVLLKCVNKNIISLLNVYLVMELMD-ANLCQVIHMHLHSAGIIHRDLKPSNIVVILDFGLA |
| Sequence structure: | KPIGSGAQGIVCAVAVKKLRAYRELVLLKCVNKNIISLLNVYLVMELMD_ANLCQVIHMHLHSAGIIHRDLKPSNIVVILDFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL752 |
| Bioaffinities: | 1 record for 1 kinase |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Tyrosine-protein kinase SRC | 7 | 7 | 7 | pIC50 | 1 |
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 30 | 2 P 31 | 3 I 32 | 4 G 33 | 5 S 34 | 6 G 35 | 7 A 36 | 8 Q 37 | 9 G 38 | 10 I 39 | 11 V 40 | 12 C 41 | 13 A 42 | 14 V 52 | 15 A 53 | 16 V 54 | 17 K 55 | 18 K 56 | 19 L 57 | 20 R 69 |
| • | • | • | • | • | • | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 A 70 | 22 Y 71 | 23 R 72 | 24 E 73 | 25 L 74 | 26 V 75 | 27 L 76 | 28 L 77 | 29 K 78 | 30 C 79 | 31 V 80 | 32 N 81 | 33 K 83 | 34 N 84 | 35 I 85 | 36 I 86 | 37 S 87 | 38 L 88 | 39 L 89 | 40 N 90 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 91 | 42 Y 105 | 43 L 106 | 44 V 107 | 45 M 108 | 46 E 109 | 47 L 110 | 48 M 111 | 49 D 112 | 50 _ _ | 51 A 113 | 52 N 114 | 53 L 115 | 54 C 116 | 55 Q 117 | 56 V 118 | 57 I 119 | 58 H 120 | 59 M 121 | 60 H 141 |
| • | • | •• | ••• | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 142 | 62 H 143 | 63 S 144 | 64 A 145 | 65 G 146 | 66 I 147 | 67 I 148 | 68 H 149 | 69 R 150 | 70 D 151 | 71 L 152 | 72 K 153 | 73 P 154 | 74 S 155 | 75 N 156 | 76 I 157 | 77 V 158 | 78 V 159 | 79 I 167 | 80 L 168 |
| • | • | • | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 169 | 82 F 170 | 83 G 171 | 84 L 172 | 85 A 173 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
