PDB-code
| Kinase structure | |
| Kinase: | STK10 (LOK) |
| Family: | STE20 |
| Group: | STE |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2211 |
| PDB: | 4BC6 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2012-10-10 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | XZN |
 | |
| More entries for 4BC6 | |||||
| 4BC6 | Alternative model: | A | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 58.3° (18.2Å) |
| G-rich loop rotation: | 27.1° |
| Quality Score: | 8 |
| Resolution: | 2.2 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 43 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate | BP-I-A BP-I-B | Cluster I3 I5 | Ligand No Yes | Protein Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | GELGDGAFGKVYKAAAKVIDYIVEIEILATCDPYIVKLLGAWIMIEFCPGGAVDAIMLEFLHSKRIIHRDLKAGNVLMLADFGVS |
| Sequence structure: | GELGDGAFGKVYKAAAKVIDYIVEIEILATCDPYIVKLLGAWIMIEFCPGGAVDAIMLEFLHSKRIIHRDLKAGNVLMLADFGVS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL4067978 |
| Bioaffinities: | 3 records for 3 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Serine/threonine-protein kinase WEE1 | 7.4 | 7.4 | 7.4 | pKd | 1 |
| Homo sapiens | Tyrosine- and threonine-specific cdc2-inhibitory kinase | 6.4 | 6.4 | 6.4 | pKd | 1 |
| Homo sapiens | Wee1-like protein kinase 2 | 8.3 | 8.3 | 8.3 | 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 G 40 | 2 E 41 | 3 L 42 | 4 G 43 | 5 D 44 | 6 G 45 | 7 A 46 | 8 F 47 | 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 S 179 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
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