PDB-code
| Kinase structure | |
| Kinase: | STK11 (LKB1) |
| Family: | CAMKL |
| Group: | CAMK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2212 |
| PDB: | 8VSU |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2024-07-10 |
| PubMed: | 38944401 |
| Chain: | B |
| Orthosteric ligand: | ADP |
 | |
| More entries for 8VSU | |||
| 8VSU | Chain: | C | |
| Structural information | |
| DFG conformation: | out |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | - |
| G-rich loop rotation: | - |
| Quality Score: | 0.4 |
| Resolution: | 2.86 Å |
| Missing Residues: | 8 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front gate back | BP-I-A BP-I-B BP-II-in BP-II-A-in | |||
| Pocket alignment | |
| Uniprot sequence: | DLLGEGSYGKVKERAVKILNVKKEIQLLRRLRKNVIQLVDVYMVMEYCVCGMQEMLDSVYLHSQGIVHKDIKPGNLLLISDLGVA |
| Sequence structure: | _LLT__VIGKGFER_YKPTCSNEMVTFLQGELKLFNHPNIVTSFMAY___GSAKDLICTYIHHMGYVHRSVKASHILIYS_VKVL |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL14830 |
| Bioaffinities: | 2 records for 1 kinase |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 7 | 4.2 | 4.2 | 5.4 | pKd | 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 _ _ | 2 L 71 | 3 L 72 | 4 T 73 | 5 _ _ | 6 _ _ | 7 V 74 | 8 I 75 | 9 G 76 | 10 K 77 | 11 G 78 | 12 F 79 | 13 E 80 | 14 R 89 | 15 _ _ | 16 Y 90 | 17 K 91 | 18 P 92 | 19 T 93 | 20 C 107 |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 S 108 | 22 N 109 | 23 E 110 | 24 M 111 | 25 V 112 | 26 T 113 | 27 F 114 | 28 L 115 | 29 Q 116 | 30 G 117 | 31 E 118 | 32 L 119 | 33 K 123 | 34 L 124 | 35 F 125 | 36 N 126 | 37 H 127 | 38 P 128 | 39 N 129 | 40 I 130 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 131 | 42 T 147 | 43 S 148 | 44 F 149 | 45 M 150 | 46 A 151 | 47 Y 152 | 48 _ _ | 49 _ _ | 50 _ _ | 51 G 153 | 52 S 154 | 53 A 155 | 54 K 156 | 55 D 157 | 56 L 158 | 57 I 159 | 58 C 160 | 59 T 161 | 60 Y 185 |
| • | • | •• | • | • | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 I 186 | 62 H 187 | 63 H 188 | 64 M 189 | 65 G 190 | 66 Y 191 | 67 V 192 | 68 H 193 | 69 R 194 | 70 S 195 | 71 V 196 | 72 K 197 | 73 A 198 | 74 S 199 | 75 H 200 | 76 I 201 | 77 L 202 | 78 I 203 | 79 Y 236 | 80 S 237 |
| • | • | • | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 _ _ | 82 V 238 | 83 K 239 | 84 V 240 | 85 L 241 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
