PDB-code
| Kinase structure | |
| Kinase: | Ripk4 (ANKRD3) |
| Family: | RIPK |
| Group: | TKL |
| Species: | MOUSE |
| PDB: | 5WNI |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2018-05-09 |
| PubMed: | 29706531 |
| Chain: | A |
| Orthosteric ligand: | ATP |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | - |
| G-rich loop rotation: | - |
| Quality Score: | 7.1 |
| Resolution: | 2.65 Å |
| Missing Residues: | 4 |
| Missing Atoms: | 13 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-II | Cluster I1 | Ligand Yes | Protein Yes |
| Pocket alignment | |
| Uniprot sequence: | EKVGSGGFGQVYKLAIKCSELLEEAKKMEMAKRYILPVYGIGLVMEYMETGSLEKLLASHCMSPPLLHLDLKPANILLISDFGLA |
| Sequence structure: | EKVGS____QVYKLAIKCSELLEEAKKMEMAKRYILPVYGIGLVMEYMETGSLEKLLASHCMSPPLLHLNLKPANILLISDFGLA |
| 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 E 26 | 2 K 27 | 3 V 28 | 4 G 29 | 5 S 30 | 6 _ _ | 7 _ _ | 8 _ _ | 9 _ _ | 10 Q 35 | 11 V 36 | 12 Y 37 | 13 K 38 | 14 L 48 | 15 A 49 | 16 I 50 | 17 K 51 | 18 C 52 | 19 S 53 | 20 E 65 |
| • | • | • | •• | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 66 | 22 L 67 | 23 E 68 | 24 E 69 | 25 A 70 | 26 K 71 | 27 K 72 | 28 M 73 | 29 E 74 | 30 M 75 | 31 A 76 | 32 K 77 | 33 R 79 | 34 Y 80 | 35 I 81 | 36 L 82 | 37 P 83 | 38 V 84 | 39 Y 85 | 40 G 86 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 I 87 | 42 G 93 | 43 L 94 | 44 V 95 | 45 M 96 | 46 E 97 | 47 Y 98 | 48 M 99 | 49 E 100 | 50 T 101 | 51 G 102 | 52 S 103 | 53 L 104 | 54 E 105 | 55 K 106 | 56 L 107 | 57 L 108 | 58 A 109 | 59 S 110 | 60 H 133 |
| • | • | •• | •• | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 C 134 | 62 M 135 | 63 S 136 | 64 P 137 | 65 P 138 | 66 L 139 | 67 L 140 | 68 H 141 | 69 L 142 | 70 N 143 | 71 L 144 | 72 K 145 | 73 P 146 | 74 A 147 | 75 N 148 | 76 I 149 | 77 L 150 | 78 L 151 | 79 I 159 | 80 S 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:
