PDB-code
| Kinase structure | |
| Kinase: | Camk2d (CaMK2d) |
| Family: | CAMK2 |
| Group: | CAMK |
| Species: | MOUSE |
| PDB: | 6BAB |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2017-11-29 |
| Chain: | D |
| (Alternate) Model: | B |
| Orthosteric ligand: | D0S |
 | |
| More entries for 6BAB | |||||
| 6BAB | Alternative model: | A | Chain: | A | |
| 6BAB | Alternative model: | A | Chain: | B | |
| 6BAB | Alternative model: | A | Chain: | C | |
| 6BAB | Alternative model: | A | Chain: | D | |
| 6BAB | Alternative model: | B | Chain: | A | |
| 6BAB | Alternative model: | B | Chain: | B | |
| 6BAB | Alternative model: | B | Chain: | C | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 49° (15.5Å) |
| G-rich loop rotation: | 67.2° |
| Quality Score: | 8 |
| Resolution: | 1.91 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-I | Cluster I1 I4 | Ligand No No | Protein Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | EELGKGAFSVVRRYAAKIIKLEREARICRLLKPNIVRLHDSYLVFDLVTGGELFEDIVAHCHLNGIVHRDLKPENLLLLADFGLA |
| Sequence structure: | EELGKGAFSVVRRYAAKIIKLEREARICRLLKPNIVRLHDSYLVFDLVTGGELFEDIVAHCHLNGIVHRDLKPENLLLLADFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL4210359 |
| Bioaffinities: | 1 record for 1 kinase |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | CaM kinase II delta | 10 | 10 | 10 | 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 E 20 | 2 E 21 | 3 L 22 | 4 G 23 | 5 K 24 | 6 G 25 | 7 A 26 | 8 F 27 | 9 S 28 | 10 V 29 | 11 V 30 | 12 R 31 | 13 R 32 | 14 Y 42 | 15 A 43 | 16 A 44 | 17 K 45 | 18 I 46 | 19 I 47 | 20 K 59 |
| • | • | • | • | • | • | • | |||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 60 | 22 E 61 | 23 R 62 | 24 E 63 | 25 A 64 | 26 R 65 | 27 I 66 | 28 C 67 | 29 R 68 | 30 L 69 | 31 L 70 | 32 K 71 | 33 P 73 | 34 N 74 | 35 I 75 | 36 V 76 | 37 R 77 | 38 L 78 | 39 H 79 | 40 D 80 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 S 81 | 42 Y 89 | 43 L 90 | 44 V 91 | 45 F 92 | 46 D 93 | 47 L 94 | 48 V 95 | 49 T 96 | 50 G 97 | 51 G 98 | 52 E 99 | 53 L 100 | 54 F 101 | 55 E 102 | 56 D 103 | 57 I 104 | 58 V 105 | 59 A 106 | 60 H 128 |
| •• | • | • | •• | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 C 129 | 62 H 130 | 63 L 131 | 64 N 132 | 65 G 133 | 66 I 134 | 67 V 135 | 68 H 136 | 69 R 137 | 70 D 138 | 71 L 139 | 72 K 140 | 73 P 141 | 74 E 142 | 75 N 143 | 76 L 144 | 77 L 145 | 78 L 146 | 79 L 157 | 80 A 158 |
| • | • | • | • | ||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 159 | 82 F 160 | 83 G 161 | 84 L 162 | 85 A 163 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
