PDB-code
| Kinase structure | |
| Kinase: | PIM2 |
| Family: | PIM |
| Group: | CAMK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2159 |
| PDB: | 4X7Q |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2015-02-11 |
| PubMed: | 25575657 |
| Chain: | A |
| Orthosteric ligand: | 3YR |
 | |
| More entries for 4X7Q | |||
| 4X7Q | Chain: | B | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 51.9° (16.1Å) |
| G-rich loop rotation: | 40.9° |
| Quality Score: | 7.8 |
| Resolution: | 2.33 Å |
| Missing Residues: | 3 |
| Missing Atoms: | 10 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I5 | Ligand Yes | Protein Yes | |
| Pocket alignment | |
| Uniprot sequence: | PLLGKGGFGTVFAVAIKVITCPLEVALLWKVGPGVIRLLDWMLVLERPLAQDLFDYITEHCHSRGVVHRDIKDENILILIDFGSG |
| Sequence structure: | PLLGKGGFGTVFAVAIKVI___LEVALLWKVGPGVIRLLDWMLVLERPLAQDLFDYITEHCHSRGVVHRDIKDENILILIDFGSG |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL3354511 |
| Bioaffinities: | 3 records for 3 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Serine/threonine-protein kinase PIM1 | 8.3 | 8.3 | 8.3 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase PIM2 | 7.9 | 7.9 | 7.9 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase PIM3 | 8.7 | 8.7 | 8.7 | pIC50 | 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 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 _ _ |
| • | • | •• | • | • | • | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 _ _ | 22 _ _ | 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 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
