PDB-code
| Kinase structure | |
| Kinase: | STK17B (DRAK2) |
| Family: | DAPK |
| Group: | CAMK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2215 |
| PDB: | 3LM5 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2010-03-16 |
| PubMed: | 33215924 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | QUE |
 | |
| More entries for 3LM5 | |||||
| 3LM5 | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 53.5° (16.6Å) |
| G-rich loop rotation: | 43.7° |
| Quality Score: | 9.6 |
| Resolution: | 2.29 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 4 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate | BP-I-B | Cluster I1 I2 I3 | Ligand No No No | Protein Yes Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | KELGRGKFAVVRQYAAKFLEILHEIAVLELAKPRVINLHEVILILEYAAGGEIFSLCLPYLHQNNIVHLDLKPQNILLIVDFGMS |
| Sequence structure: | KELGRGKFAVVRQYAAKFLEILHEIAVLELAKPRVINLHEVILILEYAAGGEIFSLCLPYLHQNNIVHLDLKPQNILLIVDFGMS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL50 |
| Bioaffinities: | 40 records for 29 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | ALK tyrosine kinase receptor | 5.5 | 5.5 | 5.5 | pIC50 | 1 |
| Homo sapiens | CaM kinase II beta | 5.5 | 5.5 | 5.5 | pIC50 | 1 |
| Homo sapiens | Casein kinase II alpha | 5.9 | 5.9 | 5.9 | pKi | 1 |
| Rattus norvegicus | Cell division protein kinase 5 | 4.2 | 4.2 | 4.2 | pEC50 | 1 |
| Homo sapiens | Cyclin-dependent kinase 1 | 6.4 | 6.4 | 6.4 | pIC50 | 1 |
| Homo sapiens | Cyclin-dependent kinase 2 | 4.4 | 4.4 | 4.4 | pIC50 | 1 |
| Homo sapiens | Cyclin-dependent kinase 6 | 4.6 | 4.6 | 4.6 | pIC50 | 2 |
| Homo sapiens | Death-associated protein kinase 1 | 5.1 | 5.1 | 5.1 | pIC50 | 1 |
| Homo sapiens | Epidermal growth factor receptor erbB1 | 4.8 | 4.8 | 6.1 | pIC50 | 2 |
| Homo sapiens | Focal adhesion kinase 1 | 5.9 | 5.9 | 5.9 | pIC50 | 1 |
| Homo sapiens | Glycogen synthase kinase-3 beta | 5.7 | 5.7 | 5.7 | pIC50 | 1 |
| Homo sapiens | Hepatocyte growth factor receptor | 6.2 | 6.2 | 6.2 | pIC50 | 1 |
| Homo sapiens | Insulin-like growth factor I receptor | 6.5 | 6.5 | 6.5 | pIC50 | 1 |
| Homo sapiens | NUAK family SNF1-like kinase 1 | 5.3 | 5.3 | 5.3 | pIC50 | 1 |
| Homo sapiens | Protein kinase N1 | 5.2 | 5.2 | 5.2 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase AKT | 5.3 | 5.3 | 5.3 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-B | 6 | 6 | 6 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase B-raf | 5.1 | 5.1 | 5.1 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase NEK2 | 5.2 | 5.2 | 5.2 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase NEK6 | 5.4 | 5.4 | 5.4 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase PIM1 | 6 | 6 | 7.4 | pIC50 | 4 |
| Homo sapiens | Serine/threonine-protein kinase PIM1 | 7.6 | 7.6 | 7.6 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase PLK1 | 4.2 | 4.2 | 5.2 | pIC50 | 2 |
| Homo sapiens | Tyrosine-protein kinase LCK | 4.9 | 4.9 | 4.9 | pIC50 | 2 |
| Homo sapiens | Tyrosine-protein kinase receptor FLT3 | 6.2 | 6.2 | 6.2 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor RET | 4.1 | 4.1 | 4.1 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor UFO | 6 | 6 | 6 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase SRC | 4.8 | 4.8 | 6.9 | pIC50 | 2 |
| Homo sapiens | Tyrosine-protein kinase SYK | 4.5 | 4.5 | 4.5 | pEC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase SYK | 4.7 | 4.7 | 4.7 | pIC50 | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 5.8 | 5.8 | 6.6 | pIC50 | 2 |
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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