PDB-code
| Kinase structure | |
| Kinase: | CAMK1D (CaMK1d) |
| Family: | CAMK1 |
| Group: | CAMK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1953 |
| PDB: | 2JC6 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2007-02-13 |
| Chain: | C |
| (Alternate) Model: | A |
| Orthosteric ligand: | QPP |
 | |
| More entries for 2JC6 | |||||
| 2JC6 | Alternative model: | A | Chain: | A | |
| 2JC6 | Alternative model: | B | Chain: | A | |
| 2JC6 | Alternative model: | B | Chain: | C | |
| Structural information | |
| DFG conformation: | na |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 65.5° (19.9Å) |
| G-rich loop rotation: | 32.8° |
| Quality Score: | 5.2 |
| Resolution: | 2.3 Å |
| Missing Residues: | 5 |
| Missing Atoms: | 37 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I7 O2 | Ligand No No | Protein No No | |
| Pocket alignment | |
| Uniprot sequence: | ETLGTGAFSEVVLFAVKCISIENEIAVLRKIKENIVALEDIYLVMQLVSGGELFDRIVEYLHRMGIVHRDLKPENLLYISDFGLS |
| Sequence structure: | ETLGTGAFSEVVLFAVKCISIENEIAVLRKIKENIVALEDIYLVMQLVSGGELFDRIVEYLHRMGIVHRDLKPENLLYIS_____ |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL359482 |
| Bioaffinities: | 9 records for 5 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Glycogen synthase kinase-3 beta | 7.7 | 7.7 | 7.7 | pKi | 2 |
| Homo sapiens | Interferon-induced, double-stranded RNA-activated protein kinase | 4.8 | 4.8 | 4.8 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-A | 7.6 | 7.6 | 7.6 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-A | 7.2 | 7.2 | 7.2 | pKi | 2 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-B | 6.1 | 6.1 | 6.1 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase SRC | 7.1 | 7.1 | 7.1 | pKi | 2 |
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 27 | 2 T 28 | 3 L 29 | 4 G 30 | 5 T 31 | 6 G 32 | 7 A 33 | 8 F 34 | 9 S 35 | 10 E 36 | 11 V 37 | 12 V 38 | 13 L 39 | 14 F 49 | 15 A 50 | 16 V 51 | 17 K 52 | 18 C 53 | 19 I 54 | 20 S 65 |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 I 66 | 22 E 67 | 23 N 68 | 24 E 69 | 25 I 70 | 26 A 71 | 27 V 72 | 28 L 73 | 29 R 74 | 30 K 75 | 31 I 76 | 32 K 77 | 33 E 79 | 34 N 80 | 35 I 81 | 36 V 82 | 37 A 83 | 38 L 84 | 39 E 85 | 40 D 86 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 I 87 | 42 Y 95 | 43 L 96 | 44 V 97 | 45 M 98 | 46 Q 99 | 47 L 100 | 48 V 101 | 49 S 102 | 50 G 103 | 51 G 104 | 52 E 105 | 53 L 106 | 54 F 107 | 55 D 108 | 56 R 109 | 57 I 110 | 58 V 111 | 59 E 112 | 60 Y 134 |
| • | • | • | ••• | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 135 | 62 H 136 | 63 R 137 | 64 M 138 | 65 G 139 | 66 I 140 | 67 V 141 | 68 H 142 | 69 R 143 | 70 D 144 | 71 L 145 | 72 K 146 | 73 P 147 | 74 E 148 | 75 N 149 | 76 L 150 | 77 L 151 | 78 Y 152 | 79 I 163 | 80 S 164 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 _ _ | 82 _ _ | 83 _ _ | 84 _ _ | 85 _ _ | |||||||||||||||
Interaction pattern search
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