4EQU - chain A (model B) | Serine/threonine kinase 10
Structure information
PDB: | 4EQU |
PubMed: | 23088519 |
Release date: | 2012-11-07 |
Resolution: | 2 Å |
Kinase: | STK10 (LOK) |
Family: | STE20 |
Group: | STE |
Species: | HUMAN |
Quality Score: | 7 |
Missing Residues: | 5 |
Missing Atoms: | 10 |
DFG conformation: | out |
αC-helix conformation: | in |
Salt bridge KIII.17 and EαC.24: | Yes (3Å) |
ASP rotation (xDFG.81) : | 220° |
PHE rotation (xDFG.82) : | 198° |
Activation loop position: | 2.3Å |
αC-helix position: | 18.7Å |
G-rich loop angle: | - |
G-rich loop distance: | - |
G-rich loop rotation: | - |
Other models from this PDB:
2D & 3D views
Binding pocket waters
No waters were found in the defined clusters
Binding pocket sequence
Uniprot | GELGDGAFGKVYKAAAKVIDYIVEIEILATCDPYIVKLLGAWIMIEFCPGGAVDAIMLEFLHSKRIIHRDLKAGNVLMLADFGVS |
Structure: | GELG_____KVYKAAAKVIDYIVEIEILATCDPYIVKLLGAWIMIEFCPGGAVDAIMLEFLHSKRIIHRDLKAGNVLMLADFGVS |
Modified residues
No modified residues identified.
Orthosteric ligand
Ligand HET-code: G6I
Ligand Name: N-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-3-(trifluoromethyl)benzamide
- Download image
- LABELS
- KLIFS residue #
- Amino Acid
- None
- COLORS
- Interaction types
- KLIFS (all res.)
- KLIFS (interacting res.)
- None
- OTHER
- Show/hide non-interacting res.
- En/disable resizing interacting res.
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 G 40 | 2 E 41 | 3 L 42 | 4 G 48 | 5 _ _ | 6 _ _ | 7 _ _ | 8 _ _ | 9 _ _ | 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 | |||||||||||||||
■▲ | ■♦ | ■ |
Binding affinities
Ligand not found in ChEMBL.