PDB-code
| Kinase structure | |
| Kinase: | TNIK |
| Family: | STE20 |
| Group: | STE |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2244 |
| PDB: | 2X7F |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2010-07-14 |
| Chain: | E |
| (Alternate) Model: | B |
| Orthosteric ligand: | 824 |
 | |
| More entries for 2X7F | |||||
| 2X7F | Alternative model: | A | Chain: | A | |
| 2X7F | Alternative model: | A | Chain: | B | |
| 2X7F | Alternative model: | A | Chain: | C | |
| 2X7F | Alternative model: | A | Chain: | D | |
| 2X7F | Alternative model: | A | Chain: | E | |
| 2X7F | Alternative model: | B | Chain: | A | |
| 2X7F | Alternative model: | B | Chain: | B | |
| 2X7F | Alternative model: | B | Chain: | C | |
| 2X7F | Alternative model: | B | Chain: | D | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | - |
| G-rich loop rotation: | - |
| Quality Score: | 5.2 |
| Resolution: | 2.8 Å |
| Missing Residues: | 7 |
| Missing Atoms: | 135 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front gate | BP-I-B | |||
| Pocket alignment | |
| Uniprot sequence: | ELVGNGTYGQVYKAAIKVMEIKQEINMLKKYSRNIATYYGAWLVMEFCGAGSVTDLIKNHLHQHKVIHRDIKGQNVLLLVDFGVS |
| Sequence structure: | ELVG____GQVYKAAIKVMEIKQEINMLKKYSRNIATYYGAWLVMEFCGAGSVTDLIKNHLHQHKVIHRDIKGQNVLLLVDF___ |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL214253 |
| Bioaffinities: | 9 records for 3 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Cyclin-dependent kinase 4 | 5.4 | 5.4 | 5.4 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase Chk1 | 7.3 | 7.3 | 7.3 | pIC50 | 3 |
| Homo sapiens | Serine/threonine-protein kinase WEE1 | 7 | 7 | 7 | pIC50 | 5 |
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 E 29 | 2 L 30 | 3 V 31 | 4 G 32 | 5 _ _ | 6 _ _ | 7 _ _ | 8 _ _ | 9 G 37 | 10 Q 38 | 11 V 39 | 12 Y 40 | 13 K 41 | 14 A 51 | 15 A 52 | 16 I 53 | 17 K 54 | 18 V 55 | 19 M 56 | 20 E 65 |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 I 66 | 22 K 67 | 23 Q 68 | 24 E 69 | 25 I 70 | 26 N 71 | 27 M 72 | 28 L 73 | 29 K 74 | 30 K 75 | 31 Y 76 | 32 S 77 | 33 R 80 | 34 N 81 | 35 I 82 | 36 A 83 | 37 T 84 | 38 Y 85 | 39 Y 86 | 40 G 87 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 88 | 42 W 102 | 43 L 103 | 44 V 104 | 45 M 105 | 46 E 106 | 47 F 107 | 48 C 108 | 49 G 109 | 50 A 110 | 51 G 111 | 52 S 112 | 53 V 113 | 54 T 114 | 55 D 115 | 56 L 116 | 57 I 117 | 58 K 118 | 59 N 119 | 60 H 143 |
| • | • | • | ••• | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 144 | 62 H 145 | 63 Q 146 | 64 H 147 | 65 K 148 | 66 V 149 | 67 I 150 | 68 H 151 | 69 R 152 | 70 D 153 | 71 I 154 | 72 K 155 | 73 G 156 | 74 Q 157 | 75 N 158 | 76 V 159 | 77 L 160 | 78 L 161 | 79 L 169 | 80 V 170 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 171 | 82 F 172 | 83 _ _ | 84 _ _ | 85 _ _ | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
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