PDB-code
| Kinase structure | |
| Kinase: | CSNK2A2 (CK2a2) |
| Family: | CK2 |
| Group: | CMGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1550 |
| PDB: | 6HMB |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2019-03-27 |
| PubMed: | 12860116 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | 3NG |
 | |
| More entries for 6HMB | |||||
| 6HMB | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 52.4° (16.1Å) |
| G-rich loop rotation: | 49.5° |
| Quality Score: | 8 |
| Resolution: | 1.04 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate | Cluster I4 I7 I10 | Ligand Yes Yes Yes | Protein Yes Yes Yes | |
| Pocket alignment | |
| Uniprot sequence: | RKLGRGKYSEVFEVVVKILKIKREVKILENLRTNIIKLIDTALVFEYIN-NTDFKQLYQYCHSKGIMHRDVKPHNVMILIDWGLA |
| Sequence structure: | RKLGRGKYSEVFEVVVKILKIKREVKILENLRTNIIKLIDTALVFEYIN_NTDFKQLYQYCHSKGIMHRDVKPHNVMILIDWGLA |
| 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 R 44 | 2 K 45 | 3 L 46 | 4 G 47 | 5 R 48 | 6 G 49 | 7 K 50 | 8 Y 51 | 9 S 52 | 10 E 53 | 11 V 54 | 12 F 55 | 13 E 56 | 14 V 66 | 15 V 67 | 16 V 68 | 17 K 69 | 18 I 70 | 19 L 71 | 20 K 78 |
| • | • | • | • | • | ••• | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 I 79 | 22 K 80 | 23 R 81 | 24 E 82 | 25 V 83 | 26 K 84 | 27 I 85 | 28 L 86 | 29 E 87 | 30 N 88 | 31 L 89 | 32 R 90 | 33 T 93 | 34 N 94 | 35 I 95 | 36 I 96 | 37 K 97 | 38 L 98 | 39 I 99 | 40 D 100 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 T 101 | 42 A 111 | 43 L 112 | 44 V 113 | 45 F 114 | 46 E 115 | 47 Y 116 | 48 I 117 | 49 N 118 | 50 _ _ | 51 N 119 | 52 T 120 | 53 D 121 | 54 F 122 | 55 K 123 | 56 Q 124 | 57 L 125 | 58 Y 126 | 59 Q 127 | 60 Y 147 |
| •• | •• | •• | |||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 C 148 | 62 H 149 | 63 S 150 | 64 K 151 | 65 G 152 | 66 I 153 | 67 M 154 | 68 H 155 | 69 R 156 | 70 D 157 | 71 V 158 | 72 K 159 | 73 P 160 | 74 H 161 | 75 N 162 | 76 V 163 | 77 M 164 | 78 I 165 | 79 L 174 | 80 I 175 |
| •• | • | • | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 176 | 82 W 177 | 83 G 178 | 84 L 179 | 85 A 180 | |||||||||||||||
| •• | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
