PDB-code
| Kinase structure | |
| Kinase: | CAMK2A (CaMK2a) |
| Family: | CAMK2 |
| Group: | CAMK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1555 |
| PDB: | 7KL1 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2020-12-23 |
| PubMed: | 35830796 |
| Chain: | A |
| Orthosteric ligand: | ATP |
 | |
| More entries for 7KL1 | |||
| 7KL1 | Chain: | B | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 59.3° (18.4Å) |
| G-rich loop rotation: | 58.1° |
| Quality Score: | 9 |
| Resolution: | 2.4 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 10 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-II | Cluster I1 I4 I5 I11 | Ligand No No No No | Protein Yes Yes Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | EELGKGAFSVVRRYAAKIIKLEREARICRLLKPNIVRLHDSYLIFDLVTGGELFEDIVAHCHQMGVVHRDLKPENLLLLADFGLA |
| Sequence structure: | EELGKGAFSVVRRYAAKIIKLEREARICRLLKPNIVRLHDSYLIFDLVTGGELFEDIVAHCHQMGVVHRNLKPENLLLLADFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL14249 |
| Bioaffinities: | 4 records for 2 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | MAP kinase-activated protein kinase 2 | 5.2 | 4.9 | 5.6 | pIC50 | 3 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 7 | 5.6 | 5.6 | 5.6 | pKd | 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 E 17 | 2 E 18 | 3 L 19 | 4 G 20 | 5 K 21 | 6 G 22 | 7 A 23 | 8 F 24 | 9 S 25 | 10 V 26 | 11 V 27 | 12 R 28 | 13 R 29 | 14 Y 39 | 15 A 40 | 16 A 41 | 17 K 42 | 18 I 43 | 19 I 44 | 20 K 56 |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 57 | 22 E 58 | 23 R 59 | 24 E 60 | 25 A 61 | 26 R 62 | 27 I 63 | 28 C 64 | 29 R 65 | 30 L 66 | 31 L 67 | 32 K 68 | 33 P 70 | 34 N 71 | 35 I 72 | 36 V 73 | 37 R 74 | 38 L 75 | 39 H 76 | 40 D 77 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 S 78 | 42 Y 86 | 43 L 87 | 44 I 88 | 45 F 89 | 46 D 90 | 47 L 91 | 48 V 92 | 49 T 93 | 50 G 94 | 51 G 95 | 52 E 96 | 53 L 97 | 54 F 98 | 55 E 99 | 56 D 100 | 57 I 101 | 58 V 102 | 59 A 103 | 60 H 125 |
| • | • | •• | • | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 C 126 | 62 H 127 | 63 Q 128 | 64 M 129 | 65 G 130 | 66 V 131 | 67 V 132 | 68 H 133 | 69 R 134 | 70 N 135 | 71 L 136 | 72 K 137 | 73 P 138 | 74 E 139 | 75 N 140 | 76 L 141 | 77 L 142 | 78 L 143 | 79 L 154 | 80 A 155 |
| • | • | • | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 156 | 82 F 157 | 83 G 158 | 84 L 159 | 85 A 160 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
