PDB-code
| Kinase structure | |
| Kinase: | CASK |
| Family: | CASK |
| Group: | CAMK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1959 |
| PDB: | 3C0G |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2008-04-29 |
| PubMed: | 18423203 |
| Chain: | B |
| (Alternate) Model: | A |
| Orthosteric ligand: | 3AM |
 | |
| More entries for 3C0G | |||||
| 3C0G | Alternative model: | A | Chain: | A | |
| 3C0G | Alternative model: | B | Chain: | A | |
| 3C0G | Alternative model: | B | Chain: | B | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 55.2° (16.9Å) |
| G-rich loop rotation: | 55.6° |
| Quality Score: | 8 |
| Resolution: | 2.19 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-I | Cluster I2 I4 I5 | Ligand No Yes Yes | Protein Yes Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | EVIGKGPFSVVRRFAVKIVDLKREASICHMLKPHIVELLETYMVFEFMDGADLCFEIVKYCHDNNIIHRDVKPHCVLLLGGFGVA |
| Sequence structure: | EVIGKGPFSVVRRFAVKIVDLKREASICHMLKPHIVELLETYMVFEFMDGADLCFEIVKYCHDNNIIHRDVKPHCVLLLGGFGVA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL576739 |
| Bioaffinities: | No (p)Ki/(p)IC50/(p)EC50 values for kinases found (confidence ≥ 8). |
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 16 | 2 V 17 | 3 I 18 | 4 G 19 | 5 K 20 | 6 G 21 | 7 P 22 | 8 F 23 | 9 S 24 | 10 V 25 | 11 V 26 | 12 R 27 | 13 R 28 | 14 F 38 | 15 A 39 | 16 V 40 | 17 K 41 | 18 I 42 | 19 V 43 | 20 D 58 |
| • | • | • | •• | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 59 | 22 K 60 | 23 R 61 | 24 E 62 | 25 A 63 | 26 S 64 | 27 I 65 | 28 C 66 | 29 H 67 | 30 M 68 | 31 L 69 | 32 K 70 | 33 P 72 | 34 H 73 | 35 I 74 | 36 V 75 | 37 E 76 | 38 L 77 | 39 L 78 | 40 E 79 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 T 80 | 42 Y 88 | 43 M 89 | 44 V 90 | 45 F 91 | 46 E 92 | 47 F 93 | 48 M 94 | 49 D 95 | 50 G 96 | 51 A 97 | 52 D 98 | 53 L 99 | 54 C 100 | 55 F 101 | 56 E 102 | 57 I 103 | 58 V 104 | 59 K 105 | 60 Y 131 |
| • | • | ••• | |||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 C 132 | 62 H 133 | 63 D 134 | 64 N 135 | 65 N 136 | 66 I 137 | 67 I 138 | 68 H 139 | 69 R 140 | 70 D 141 | 71 V 142 | 72 K 143 | 73 P 144 | 74 H 145 | 75 C 146 | 76 V 147 | 77 L 148 | 78 L 149 | 79 L 160 | 80 G 161 |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 G 162 | 82 F 163 | 83 G 164 | 84 V 165 | 85 A 166 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
