PDB-code
| Kinase structure | |
| Kinase: | PIM1 |
| Family: | PIM |
| Group: | CAMK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2158 |
| PDB: | 5O11 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2017-11-01 |
| PubMed: | 29042609 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | 3NG |
 | |
| More entries for 5O11 | |||||
| 5O11 | Alternative model: | A | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | - |
| G-rich loop rotation: | - |
| Quality Score: | 7.6 |
| Resolution: | 2.4 Å |
| Missing Residues: | 3 |
| Missing Atoms: | 12 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate | Cluster I1 I4 I7 I10 | Ligand No Yes No Yes | Protein Yes Yes No Yes | |
| Pocket alignment | |
| Uniprot sequence: | PLLGSGGFGSVYSVAIKHVRVPMEVVLLKKVSSGVIRLLDWVLILERPEVQDLFDFITEHCHNCGVLHRDIKDENILILIDFGSG |
| Sequence structure: | PLLGSGG__SVYSVAIKHVRVPMEVVLLKKVSSGVIRLLDWVLILERPEVQDLFDFITEHCHN_GVLHRDIKDENILILIDFGSG |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1230165 |
| Bioaffinities: | 23 records for 12 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Casein kinase II alpha | 7.8 | 7 | 9.3 | pIC50 | 9 |
| Homo sapiens | Casein kinase II alpha | 9.3 | 9.3 | 9.3 | pKd | 2 |
| Homo sapiens | Casein kinase II alpha (prime) | 8 | 8 | 8 | pIC50 | 1 |
| Homo sapiens | Death-associated protein kinase 3 | 7.8 | 7.8 | 7.8 | pIC50 | 1 |
| Homo sapiens | Dual specificity protein kinase CLK2 | 8.4 | 8.4 | 8.4 | pIC50 | 1 |
| Homo sapiens | Dual specificity protein kinase CLK3 | 7.4 | 7.4 | 7.4 | pIC50 | 1 |
| Homo sapiens | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 8.2 | 8.2 | 8.2 | pIC50 | 1 |
| Homo sapiens | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 8.2 | 8.2 | 8.2 | pIC50 | 1 |
| Homo sapiens | Homeodomain-interacting protein kinase 3 | 7.4 | 7.4 | 7.4 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase PIM1 | 7.3 | 7.3 | 7.3 | pIC50 | 2 |
| Homo sapiens | Serine/threonine-protein kinase PIM2 | 6.7 | 6.7 | 6.7 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase TBK1 | 7.5 | 7.5 | 7.5 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor FLT3 | 7.3 | 7.3 | 7.3 | 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 42 | 2 L 43 | 3 L 44 | 4 G 45 | 5 S 46 | 6 G 47 | 7 G 50 | 8 _ _ | 9 _ _ | 10 S 51 | 11 V 52 | 12 Y 53 | 13 S 54 | 14 V 64 | 15 A 65 | 16 I 66 | 17 K 67 | 18 H 68 | 19 V 69 | 20 R 85 |
| • | • | • | • | • | ••• | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 V 86 | 22 P 87 | 23 M 88 | 24 E 89 | 25 V 90 | 26 V 91 | 27 L 92 | 28 L 93 | 29 K 94 | 30 K 95 | 31 V 96 | 32 S 97 | 33 S 101 | 34 G 102 | 35 V 103 | 36 I 104 | 37 R 105 | 38 L 106 | 39 L 107 | 40 D 108 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 W 109 | 42 V 117 | 43 L 118 | 44 I 119 | 45 L 120 | 46 E 121 | 47 R 122 | 48 P 123 | 49 E 124 | 50 V 126 | 51 Q 127 | 52 D 128 | 53 L 129 | 54 F 130 | 55 D 131 | 56 F 132 | 57 I 133 | 58 T 134 | 59 E 135 | 60 H 157 |
| • | • | • | • | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 C 158 | 62 H 159 | 63 N 160 | 64 _ _ | 65 G 162 | 66 V 163 | 67 L 164 | 68 H 165 | 69 R 166 | 70 D 167 | 71 I 168 | 72 K 169 | 73 D 170 | 74 E 171 | 75 N 172 | 76 I 173 | 77 L 174 | 78 I 175 | 79 L 184 | 80 I 185 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 186 | 82 F 187 | 83 G 188 | 84 S 189 | 85 G 190 | |||||||||||||||
| •• | |||||||||||||||||||
Interaction pattern search
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