PDB-code
| Kinase structure | |
| Kinase: | DAPK1 |
| Family: | DAPK |
| Group: | CAMK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2002 |
| PDB: | 5AV3 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2015-10-07 |
| PubMed: | 26322379 |
| Chain: | A |
| Orthosteric ligand: | KMP |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 52.6° (15.7Å) |
| G-rich loop rotation: | 44.8° |
| Quality Score: | 8 |
| Resolution: | 1.9 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I1 | Ligand No | Protein Yes | |
| Pocket alignment | |
| Uniprot sequence: | EELGSGQFAVVKKYAAKFIDIEREVSILKEIQPNVITLHEVILILELVAGGELFDFLAEYLHSLQIAHFDLKPENIMLIIDFGLA |
| Sequence structure: | EELGSGQFAVVKKYAAKFIDIEREVSILKEIQPNVITLHEVILILELVAGGELFDFLAEYLHSLQIAHFDLKPENIMLIIDFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL150 |
| Bioaffinities: | 5 records for 4 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Rattus norvegicus | Cell division protein kinase 5 | 4.2 | 4.2 | 4.2 | pEC50 | 1 |
| Homo sapiens | Cyclin-dependent kinase 6 | 4.7 | 4.7 | 4.7 | pIC50 | 2 |
| Homo sapiens | Death-associated protein kinase 1 | 5 | 5 | 5 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor FLT3 | 5.6 | 5.6 | 5.6 | 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 17 | 2 E 18 | 3 L 19 | 4 G 20 | 5 S 21 | 6 G 22 | 7 Q 23 | 8 F 24 | 9 A 25 | 10 V 26 | 11 V 27 | 12 K 28 | 13 K 29 | 14 Y 39 | 15 A 40 | 16 A 41 | 17 K 42 | 18 F 43 | 19 I 44 | 20 D 60 |
| • | • | • | • | • | • | • | •• | ||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 I 61 | 22 E 62 | 23 R 63 | 24 E 64 | 25 V 65 | 26 S 66 | 27 I 67 | 28 L 68 | 29 K 69 | 30 E 70 | 31 I 71 | 32 Q 72 | 33 P 74 | 34 N 75 | 35 V 76 | 36 I 77 | 37 T 78 | 38 L 79 | 39 H 80 | 40 E 81 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 82 | 42 I 90 | 43 L 91 | 44 I 92 | 45 L 93 | 46 E 94 | 47 L 95 | 48 V 96 | 49 A 97 | 50 G 98 | 51 G 99 | 52 E 100 | 53 L 101 | 54 F 102 | 55 D 103 | 56 F 104 | 57 L 105 | 58 A 106 | 59 E 107 | 60 Y 129 |
| • | • | •• | |||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 130 | 62 H 131 | 63 S 132 | 64 L 133 | 65 Q 134 | 66 I 135 | 67 A 136 | 68 H 137 | 69 F 138 | 70 D 139 | 71 L 140 | 72 K 141 | 73 P 142 | 74 E 143 | 75 N 144 | 76 I 145 | 77 M 146 | 78 L 147 | 79 I 159 | 80 I 160 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 161 | 82 F 162 | 83 G 163 | 84 L 164 | 85 A 165 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
