PDB-code
| Kinase structure | |
| Kinase: | MAPK10 (JNK3) |
| Family: | MAPK |
| Group: | CMGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1498 |
| PDB: | 2OK1 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2007-02-06 |
| PubMed: | 17300186 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | 33A |
 | |
| More entries for 2OK1 | |||||
| 2OK1 | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | - |
| G-rich loop rotation: | - |
| Quality Score: | 7.2 |
| Resolution: | 2.4 Å |
| Missing Residues: | 2 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I1 | Ligand Yes | Protein No | |
| Pocket alignment | |
| Uniprot sequence: | KPIGSGAQGIVCAVAIKKLRAYRELVLMKCVNKNIISLLNVYLVMELMD-ANLCQVIQMHLHSAGIIHRDLKPSNIVVILDFGLA |
| Sequence structure: | KPIG__AQGIVCAVAIKKLRAYRELVLMKCVNKNIISLLNVYLVMELMD_ANLCQVIQMHLHSAGIIHRDLKPSNIVVILDFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL220320 |
| Bioaffinities: | 2 records for 2 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | c-Jun N-terminal kinase 3 | 6.3 | 6.3 | 6.3 | pKi | 1 |
| Homo sapiens | MAP kinase ERK2 | 7.1 | 7.1 | 7.1 | pKi | 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 68 | 2 P 69 | 3 I 70 | 4 G 73 | 5 _ _ | 6 _ _ | 7 A 74 | 8 Q 75 | 9 G 76 | 10 I 77 | 11 V 78 | 12 C 79 | 13 A 80 | 14 V 90 | 15 A 91 | 16 I 92 | 17 K 93 | 18 K 94 | 19 L 95 | 20 R 107 |
| • | • | • | • | • | • | • | • | • | |||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 A 108 | 22 Y 109 | 23 R 110 | 24 E 111 | 25 L 112 | 26 V 113 | 27 L 114 | 28 M 115 | 29 K 116 | 30 C 117 | 31 V 118 | 32 N 119 | 33 K 121 | 34 N 122 | 35 I 123 | 36 I 124 | 37 S 125 | 38 L 126 | 39 L 127 | 40 N 128 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 129 | 42 Y 143 | 43 L 144 | 44 V 145 | 45 M 146 | 46 E 147 | 47 L 148 | 48 M 149 | 49 D 150 | 50 _ _ | 51 A 151 | 52 N 152 | 53 L 153 | 54 C 154 | 55 Q 155 | 56 V 156 | 57 I 157 | 58 Q 158 | 59 M 159 | 60 H 179 |
| • | • | • | ••• | • | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 180 | 62 H 181 | 63 S 182 | 64 A 183 | 65 G 184 | 66 I 185 | 67 I 186 | 68 H 187 | 69 R 188 | 70 D 189 | 71 L 190 | 72 K 191 | 73 P 192 | 74 S 193 | 75 N 194 | 76 I 195 | 77 V 196 | 78 V 197 | 79 I 205 | 80 L 206 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 207 | 82 F 208 | 83 G 209 | 84 L 210 | 85 A 211 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
