PDB-code
| Kinase structure | |
| Kinase: | CAMK1 (CaMK1a) |
| Family: | CAMK1 |
| Group: | CAMK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1952 |
| PDB: | 4FG9 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2013-01-23 |
| PubMed: | 23028635 |
| Chain: | B |
| Orthosteric ligand: | ATP |
 | |
| More entries for 4FG9 | |||
| 4FG9 | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | na |
| G-rich loop angle (distance): | 48.4° (14.7Å) |
| G-rich loop rotation: | 55.9° |
| Quality Score: | 4.9 |
| Resolution: | 2.4 Å |
| Missing Residues: | 8 |
| Missing Atoms: | 15 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I7 | Ligand Yes | Protein No | |
| Pocket alignment | |
| Uniprot sequence: | DVLGTGAFSEVILVAIKCISMENEIAVLHKIKPNIVALDDIYLIMQLVSGGELFDRIVEYLHDLGIVHRDLKPENLLYISDFGLS |
| Sequence structure: | DVLGTGAFSEVILVAIKCI_____IAVLHKIKPNIVALDDIYLIMQLVSGGELFDRIVEYLHDLGIVHRDLKPENLLYISDF___ |
| 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 D 24 | 2 V 25 | 3 L 26 | 4 G 27 | 5 T 28 | 6 G 29 | 7 A 30 | 8 F 31 | 9 S 32 | 10 E 33 | 11 V 34 | 12 I 35 | 13 L 36 | 14 V 46 | 15 A 47 | 16 I 48 | 17 K 49 | 18 C 50 | 19 I 51 | 20 _ _ |
| • | • | • | • | • | • | • | |||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 _ _ | 22 _ _ | 23 _ _ | 24 _ _ | 25 I 67 | 26 A 68 | 27 V 69 | 28 L 70 | 29 H 71 | 30 K 72 | 31 I 73 | 32 K 74 | 33 P 76 | 34 N 77 | 35 I 78 | 36 V 79 | 37 A 80 | 38 L 81 | 39 D 82 | 40 D 83 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 I 84 | 42 Y 92 | 43 L 93 | 44 I 94 | 45 M 95 | 46 Q 96 | 47 L 97 | 48 V 98 | 49 S 99 | 50 G 100 | 51 G 101 | 52 E 102 | 53 L 103 | 54 F 104 | 55 D 105 | 56 R 106 | 57 I 107 | 58 V 108 | 59 E 109 | 60 Y 131 |
| • | • | • | •• | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 132 | 62 H 133 | 63 D 134 | 64 L 135 | 65 G 136 | 66 I 137 | 67 V 138 | 68 H 139 | 69 R 140 | 70 D 141 | 71 L 142 | 72 K 143 | 73 P 144 | 74 E 145 | 75 N 146 | 76 L 147 | 77 L 148 | 78 Y 149 | 79 I 160 | 80 S 161 |
| •• | • | • | • | ||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 162 | 82 F 163 | 83 _ _ | 84 _ _ | 85 _ _ | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
