2WTK - chain F | Serine/threonine kinase 11
Structure information
PDB: | 2WTK |
PubMed: | 19892943 |
Release date: | 2009-12-15 |
Resolution: | 2.65 Å |
Kinase: | STK11 (LKB1) |
Family: | CAMKL |
Group: | CAMK |
Species: | HUMAN |
Quality Score: | 8 |
Missing Residues: | 0 |
Missing Atoms: | 0 |
DFG conformation: | in |
αC-helix conformation: | in |
Salt bridge KIII.17 and EαC.24: | Yes (3.6Å) |
ASP rotation (xDFG.81) : | 297° |
PHE rotation (xDFG.82) : | 338° |
Activation loop position: | -3.6Å |
αC-helix position: | 17.3Å |
G-rich loop angle: | 53.7° |
G-rich loop distance: | 16.1Å |
G-rich loop rotation: | 68.1° |
Other models from this PDB:
2D & 3D views
Binding pocket waters
No waters were found in the defined clusters
Binding pocket sequence
Uniprot | DLLGEGSYGKVKERAVKILNVKKEIQLLRRLRKNVIQLVDVYMVMEYCVCGMQEMLDSVYLHSQGIVHKDIKPGNLLLISDLGVA |
Structure: | DLLGEGSYGKVKERAVKILNVKKEIQLLRRLRKNVIQLVDVYMVMEYCVCGMQEMLDSVYLHSQGIVHKDIKPGNLLLISALGVA |
Modified residues
No modified residues identified.
Orthosteric ligand
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- LABELS
- KLIFS residue #
- Amino Acid
- None
- COLORS
- Interaction types
- KLIFS (all res.)
- KLIFS (interacting res.)
- None
- OTHER
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This ligand targets the following (sub)pockets:
Main pockets | |
---|---|
Front | |
Gate | |
Back |
Subpockets | |
---|---|
FP-I | |
FP-II | |
BP-I-A | |
BP-I-B | |
BP-II-in | |
BP-II-A-in | |
BP-II-B-in | |
BP-II-out | |
BP-II-B | |
BP-III | |
BP-IV | |
BP-V |
Kinase-ligand interactions
■ 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 D 53 | 2 L 54 | 3 L 55 | 4 G 56 | 5 E 57 | 6 G 58 | 7 S 59 | 8 Y 60 | 9 G 61 | 10 K 62 | 11 V 63 | 12 K 64 | 13 E 65 | 14 R 75 | 15 A 76 | 16 V 77 | 17 K 78 | 18 I 79 | 19 L 80 | 20 N 94 |
■ | ■ | ■ | ■ | ▲▲ | ▲▲ | ■ | ■ | ||||||||||||
αC | b.l | IV | |||||||||||||||||
21 V 95 | 22 K 96 | 23 K 97 | 24 E 98 | 25 I 99 | 26 Q 100 | 27 L 101 | 28 L 102 | 29 R 103 | 30 R 104 | 31 L 105 | 32 R 106 | 33 K 108 | 34 N 109 | 35 V 110 | 36 I 111 | 37 Q 112 | 38 L 113 | 39 V 114 | 40 D 115 |
IV | V | GK | hinge | linker | αD | αE | |||||||||||||
41 V 116 | 42 Y 126 | 43 M 127 | 44 V 128 | 45 M 129 | 46 E 130 | 47 Y 131 | 48 C 132 | 49 V 133 | 50 C 134 | 51 G 135 | 52 M 136 | 53 Q 137 | 54 E 138 | 55 M 139 | 56 L 140 | 57 D 141 | 58 S 142 | 59 V 143 | 60 Y 166 |
▲ | ■ | ■▲ | ▲ | ||||||||||||||||
αE | VI | c.l | VII | VIII | x | ||||||||||||||
61 L 167 | 62 H 168 | 63 S 169 | 64 Q 170 | 65 G 171 | 66 I 172 | 67 V 173 | 68 H 174 | 69 K 175 | 70 D 176 | 71 I 177 | 72 K 178 | 73 P 179 | 74 G 180 | 75 N 181 | 76 L 182 | 77 L 183 | 78 L 184 | 79 I 192 | 80 S 193 |
■ | |||||||||||||||||||
DFG | a.l | ||||||||||||||||||
81 A 194 | 82 L 195 | 83 G 196 | 84 V 197 | 85 A 198 | |||||||||||||||
Binding affinities
ChEMBL ID:CHEMBL1230989Bioaffinities: No (p)Ki/(p)IC50/(p)EC50 values for kinases found (with a ChEMBL confidence ≥ 8).