PDB-code
| Kinase structure | |
| Kinase: | STK17B (DRAK2) |
| Family: | DAPK |
| Group: | CAMK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2215 |
| PDB: | 7Q7D |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2022-11-16 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | ATP |
 | |
| More entries for 7Q7D | |||||
| 7Q7D | Alternative model: | A | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 54° (16.4Å) |
| G-rich loop rotation: | 42.7° |
| Quality Score: | 8 |
| Resolution: | 2.6 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-II | Cluster I11 | Ligand Yes | Protein No |
| Pocket alignment | |
| Uniprot sequence: | KELGRGKFAVVRQYAAKFLEILHEIAVLELAKPRVINLHEVILILEYAAGGEIFSLCLPYLHQNNIVHLDLKPQNILLIVDFGMS |
| Sequence structure: | KELGRGKFAVVRQYAAKFLEILHEIAVLELAKPRVINLHEVILILEYAAGGEIFSLCLPYLHQNNIVHLDLKPQNILLIVDFGMS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL14249 |
| Bioaffinities: | 4 records for 2 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | MAP kinase-activated protein kinase 2 | 5.2 | 4.9 | 5.6 | pIC50 | 3 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 7 | 5.6 | 5.6 | 5.6 | pKd | 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 37 | 2 E 38 | 3 L 39 | 4 G 40 | 5 R 41 | 6 G 42 | 7 K 43 | 8 F 44 | 9 A 45 | 10 V 46 | 11 V 47 | 12 R 48 | 13 Q 49 | 14 Y 59 | 15 A 60 | 16 A 61 | 17 K 62 | 18 F 63 | 19 L 64 | 20 E 76 |
| • | • | • | • | •• | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 I 77 | 22 L 78 | 23 H 79 | 24 E 80 | 25 I 81 | 26 A 82 | 27 V 83 | 28 L 84 | 29 E 85 | 30 L 86 | 31 A 87 | 32 K 88 | 33 P 91 | 34 R 92 | 35 V 93 | 36 I 94 | 37 N 95 | 38 L 96 | 39 H 97 | 40 E 98 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 99 | 42 I 107 | 43 L 108 | 44 I 109 | 45 L 110 | 46 E 111 | 47 Y 112 | 48 A 113 | 49 A 114 | 50 G 115 | 51 G 116 | 52 E 117 | 53 I 118 | 54 F 119 | 55 S 120 | 56 L 121 | 57 C 122 | 58 L 123 | 59 P 124 | 60 Y 148 |
| • | •• | •• | •• | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 149 | 62 H 150 | 63 Q 151 | 64 N 152 | 65 N 153 | 66 I 154 | 67 V 155 | 68 H 156 | 69 L 157 | 70 D 158 | 71 L 159 | 72 K 160 | 73 P 161 | 74 Q 162 | 75 N 163 | 76 I 164 | 77 L 165 | 78 L 166 | 79 I 177 | 80 V 178 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 179 | 82 F 180 | 83 G 181 | 84 M 182 | 85 S 183 | |||||||||||||||
Interaction pattern search
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