PDB-code
| Kinase structure | |
| Kinase: | STK10 (LOK) |
| Family: | STE20 |
| Group: | STE |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2211 |
| PDB: | 4USD |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2015-07-22 |
| PubMed: | 26501955 |
| Chain: | B |
| (Alternate) Model: | B |
| Orthosteric ligand: | R09 |
 | |
| More entries for 4USD | |||||
| 4USD | Alternative model: | A | Chain: | A | |
| 4USD | Alternative model: | A | Chain: | B | |
| 4USD | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | out |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 55.3° (16.6Å) |
| G-rich loop rotation: | 63.8° |
| Quality Score: | 7.5 |
| Resolution: | 3.05 Å |
| Missing Residues: | 3 |
| Missing Atoms: | 13 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front gate back | FP-I BP-I-B | |||
| Pocket alignment | |
| Uniprot sequence: | GELGDGAFGKVYKAAAKVIDYIVEIEILATCDPYIVKLLGAWIMIEFCPGGAVDAIMLEFLHSKRIIHRDLKAGNVLMLADFGVS |
| Sequence structure: | GELGDG__GKVYKAAAKVIDYIVEIEILATCDPYIVKLLGAWIMIEFCPGGAVDAIMLEFLHSKRIIHRDLKAGNVLMLADFGV_ |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL237571 |
| Bioaffinities: | 1 record for 1 kinase |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Tyrosine-protein kinase TIE-2 | 6.9 | 6.9 | 6.9 | 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 G 40 | 2 E 41 | 3 L 42 | 4 G 43 | 5 D 44 | 6 G 45 | 7 _ _ | 8 _ _ | 9 G 48 | 10 K 49 | 11 V 50 | 12 Y 51 | 13 K 52 | 14 A 62 | 15 A 63 | 16 A 64 | 17 K 65 | 18 V 66 | 19 I 67 | 20 D 77 |
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 Y 78 | 22 I 79 | 23 V 80 | 24 E 81 | 25 I 82 | 26 E 83 | 27 I 84 | 28 L 85 | 29 A 86 | 30 T 87 | 31 C 88 | 32 D 89 | 33 P 91 | 34 Y 92 | 35 I 93 | 36 V 94 | 37 K 95 | 38 L 96 | 39 L 97 | 40 G 98 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 99 | 42 W 107 | 43 I 108 | 44 M 109 | 45 I 110 | 46 E 111 | 47 F 112 | 48 C 113 | 49 P 114 | 50 G 115 | 51 G 116 | 52 A 117 | 53 V 118 | 54 D 119 | 55 A 120 | 56 I 121 | 57 M 122 | 58 L 123 | 59 E 124 | 60 F 147 |
| • | • | •• | •• | • | • | • | |||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 148 | 62 H 149 | 63 S 150 | 64 K 151 | 65 R 152 | 66 I 153 | 67 I 154 | 68 H 155 | 69 R 156 | 70 D 157 | 71 L 158 | 72 K 159 | 73 A 160 | 74 G 161 | 75 N 162 | 76 V 163 | 77 L 164 | 78 M 165 | 79 L 173 | 80 A 174 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 175 | 82 F 176 | 83 G 177 | 84 V 178 | 85 _ _ | |||||||||||||||
| •• | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
