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: | B |
| (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: | C | |
| 6BAB | Alternative model: | B | Chain: | D | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | - |
| G-rich loop rotation: | - |
| Quality Score: | 6.4 |
| Resolution: | 1.91 Å |
| Missing Residues: | 4 |
| 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: | EELG____SVVRRYAAKIIKLEREARICRLLKPNIVRLHDSYLVFDLVTGGELFEDIVAHCHLNGIVHRDLKPENLLLLADFGLA |
| 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 19 | 2 E 20 | 3 L 21 | 4 G 22 | 5 _ _ | 6 _ _ | 7 _ _ | 8 _ _ | 9 S 27 | 10 V 28 | 11 V 29 | 12 R 30 | 13 R 31 | 14 Y 41 | 15 A 42 | 16 A 43 | 17 K 44 | 18 I 45 | 19 I 46 | 20 K 58 |
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 59 | 22 E 60 | 23 R 61 | 24 E 62 | 25 A 63 | 26 R 64 | 27 I 65 | 28 C 66 | 29 R 67 | 30 L 68 | 31 L 69 | 32 K 70 | 33 P 72 | 34 N 73 | 35 I 74 | 36 V 75 | 37 R 76 | 38 L 77 | 39 H 78 | 40 D 79 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 S 80 | 42 Y 88 | 43 L 89 | 44 V 90 | 45 F 91 | 46 D 92 | 47 L 93 | 48 V 94 | 49 T 95 | 50 G 96 | 51 G 97 | 52 E 98 | 53 L 99 | 54 F 100 | 55 E 101 | 56 D 102 | 57 I 103 | 58 V 104 | 59 A 105 | 60 H 127 |
| •• | • | • | •• | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 C 128 | 62 H 129 | 63 L 130 | 64 N 131 | 65 G 132 | 66 I 133 | 67 V 134 | 68 H 135 | 69 R 136 | 70 D 137 | 71 L 138 | 72 K 139 | 73 P 140 | 74 E 141 | 75 N 142 | 76 L 143 | 77 L 144 | 78 L 145 | 79 L 156 | 80 A 157 |
| • | • | • | • | ||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 158 | 82 F 159 | 83 G 160 | 84 L 161 | 85 A 162 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
