2IWI - chain B | Pim-2 proto-oncogene, serine/threonine kinase
Structure information
| PDB: | 2IWI |
| PubMed: | 19841674 |
| Release date: | 2006-08-02 |
| Resolution: | 2.8 Å |
| Kinase: | PIM2 |
| Family: | PIM |
| Group: | CAMK |
| Species: | HUMAN |
| Quality Score: | 8 |
| Missing Residues: | 0 |
| Missing Atoms: | 29 |
| DFG conformation: | in |
| αC-helix conformation: | in |
| Salt bridge KIII.17 and EαC.24: | No |
| ASP rotation (xDFG.81) : | 348° |
| PHE rotation (xDFG.82) : | 5° |
| Activation loop position: | -3.8Å |
| αC-helix position: | 18.3Å |
| G-rich loop angle: | 52.9° |
| G-rich loop distance: | 16.2Å |
| G-rich loop rotation: | 30.7° |
Other models from this PDB:
2D & 3D views
Binding pocket waters
No waters were found in the defined clusters
Binding pocket sequence
| Uniprot | PLLGKGGFGTVFAVAIKVITCPLEVALLWKVGPGVIRLLDWMLVLERPLAQDLFDYITEHCHSRGVVHRDIKDENILILIDFGSG |
| Structure: | PLLGKGGFGTVFAVAIKVITCPLEVALLWKVGPGVIRLLDWMLVLERPLAQDLFDYITEHCHSRGVVHRDIKDENILILIDFGSG |
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
- 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 P 36 | 2 L 37 | 3 L 38 | 4 G 39 | 5 K 40 | 6 G 41 | 7 G 42 | 8 F 43 | 9 G 44 | 10 T 45 | 11 V 46 | 12 F 47 | 13 A 48 | 14 V 58 | 15 A 59 | 16 I 60 | 17 K 61 | 18 V 62 | 19 I 63 | 20 T 79 |
| ■ | ■▲ | ■♦ | ■ | ■ | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 C 80 | 22 P 81 | 23 L 82 | 24 E 83 | 25 V 84 | 26 A 85 | 27 L 86 | 28 L 87 | 29 W 88 | 30 K 89 | 31 V 90 | 32 G 91 | 33 P 97 | 34 G 98 | 35 V 99 | 36 I 100 | 37 R 101 | 38 L 102 | 39 L 103 | 40 D 104 |
| ■ | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 W 105 | 42 M 113 | 43 L 114 | 44 V 115 | 45 L 116 | 46 E 117 | 47 R 118 | 48 P 119 | 49 L 120 | 50 A 122 | 51 Q 123 | 52 D 124 | 53 L 125 | 54 F 126 | 55 D 127 | 56 Y 128 | 57 I 129 | 58 T 130 | 59 E 131 | 60 H 153 |
| ■ | ▲ | ■ | ■ | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 C 154 | 62 H 155 | 63 S 156 | 64 R 157 | 65 G 158 | 66 V 159 | 67 V 160 | 68 H 161 | 69 R 162 | 70 D 163 | 71 I 164 | 72 K 165 | 73 D 166 | 74 E 167 | 75 N 168 | 76 I 169 | 77 L 170 | 78 I 171 | 79 L 180 | 80 I 181 |
| ■ | ■ | ■ | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 182 | 82 F 183 | 83 G 184 | 84 S 185 | 85 G 186 | |||||||||||||||
| ■ | |||||||||||||||||||
Binding affinities
Ligand not found in ChEMBL.