PDB-code
| Kinase structure | |
| Kinase: | CAMK2D (CaMK2d) |
| Family: | CAMK2 |
| Group: | CAMK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1558 |
| PDB: | 2WEL |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2009-04-14 |
| PubMed: | 20668654 |
| Chain: | A |
| (Alternate) Model: | C |
| Orthosteric ligand: | K88 |
 | |
| More entries for 2WEL | |||||
| 2WEL | Alternative model: | A | Chain: | A | |
| 2WEL | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 66.5° (19.7Å) |
| G-rich loop rotation: | 62.6° |
| Quality Score: | 9.4 |
| Resolution: | 1.9 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 6 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I1 I3 | Ligand No No | Protein Yes Yes | |
| Pocket alignment | |
| Uniprot sequence: | EELGKGAFSVVRRYAAKIIKLEREARICRLLKPNIVRLHDSYLVFDLVTGGELFEDIVAHCHLNGIVHRDLKPENLLLLADFGLA |
| Sequence structure: | EELGKGAFSVVRRYAAKIIKLEREARICRLLKPNIVRLHDSYLVFDLVTGGELFEDIVAHCHLNGIVHRDLKPENLLLLADFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL605003 |
| Bioaffinities: | 15 records for 13 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | ALK tyrosine kinase receptor | 4.8 | 4.8 | 6.1 | pIC50 | 2 |
| Homo sapiens | BR serine/threonine-protein kinase 2 | 7 | 7 | 7 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-B | 7.7 | 7.7 | 7.7 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-C | 7.8 | 7.8 | 7.8 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase MST2 | 7 | 7 | 7 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase FYN | 6.8 | 6.8 | 6.8 | pIC50 | 1 |
| Mus musculus | Tyrosine-protein kinase LCK | 6.8 | 6.8 | 6.8 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase Lyn | 6.9 | 6.9 | 6.9 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor FLT3 | 5.1 | 5.1 | 5.1 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor RET | 6.1 | 6.1 | 6.1 | pIC50 | 1 |
| Gallus gallus | Tyrosine-protein kinase SRC | 7 | 7 | 7 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase SRC | 6.6 | 6.6 | 7.1 | pIC50 | 2 |
| Homo sapiens | Tyrosine-protein kinase YES | 7.7 | 7.7 | 7.7 | 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 18 | 2 E 19 | 3 L 20 | 4 G 21 | 5 K 22 | 6 G 23 | 7 A 24 | 8 F 25 | 9 S 26 | 10 V 27 | 11 V 28 | 12 R 29 | 13 R 30 | 14 Y 40 | 15 A 41 | 16 A 42 | 17 K 43 | 18 I 44 | 19 I 45 | 20 K 57 |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 58 | 22 E 59 | 23 R 60 | 24 E 61 | 25 A 62 | 26 R 63 | 27 I 64 | 28 C 65 | 29 R 66 | 30 L 67 | 31 L 68 | 32 K 69 | 33 P 71 | 34 N 72 | 35 I 73 | 36 V 74 | 37 R 75 | 38 L 76 | 39 H 77 | 40 D 78 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 S 79 | 42 Y 87 | 43 L 88 | 44 V 89 | 45 F 90 | 46 D 91 | 47 L 92 | 48 V 93 | 49 T 94 | 50 G 95 | 51 G 96 | 52 E 97 | 53 L 98 | 54 F 99 | 55 E 100 | 56 D 101 | 57 I 102 | 58 V 103 | 59 A 104 | 60 H 126 |
| •• | • | • | •• | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 C 127 | 62 H 128 | 63 L 129 | 64 N 130 | 65 G 131 | 66 I 132 | 67 V 133 | 68 H 134 | 69 R 135 | 70 D 136 | 71 L 137 | 72 K 138 | 73 P 139 | 74 E 140 | 75 N 141 | 76 L 142 | 77 L 143 | 78 L 144 | 79 L 155 | 80 A 156 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 157 | 82 F 158 | 83 G 159 | 84 L 160 | 85 A 161 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
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