PDB-code
| Kinase structure | |
| Kinase: | RIPK3 |
| Family: | RIPK |
| Group: | TKL |
| Species: | HUMAN |
| PDB: | 7MON |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2021-11-17 |
| PubMed: | 34811356 |
| Chain: | B |
| Orthosteric ligand: | ZL1 |
 | |
| More entries for 7MON | |||
| 7MON | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | - |
| G-rich loop rotation: | - |
| Quality Score: | 5.6 |
| Resolution: | 2.23 Å |
| Missing Residues: | 6 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate back | BP-I-A BP-I-B BP-II-in BP-II-B-in | Cluster I1 | Ligand No | Protein Yes |
| Pocket alignment | |
| Uniprot sequence: | ELVGKGGFGTVFRVAVKIVAISREVKAMASLDEFVLRLEGVALVTKFMENGSLSGLLQSHDQNPVLLHRDLKPSNVLLLADFGLS |
| Sequence structure: | ELV_____GTVFRVAVKIVAISREVKAMASLDEFVLRLEGVALVTKFMENGSLSGLLQSHDQNPVLLHRDLKPSNVLLLADFGL_ |
| Ligand affinity | |
| Ligand not found in ChEMBL. | |
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 25 | 2 L 26 | 3 V 27 | 4 _ _ | 5 _ _ | 6 _ _ | 7 _ _ | 8 _ _ | 9 G 33 | 10 T 34 | 11 V 35 | 12 F 36 | 13 R 37 | 14 V 47 | 15 A 48 | 16 V 49 | 17 K 50 | 18 I 51 | 19 V 52 | 20 A 56 |
| • | • | • | • | •• | • | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 I 57 | 22 S 58 | 23 R 59 | 24 E 60 | 25 V 61 | 26 K 62 | 27 A 63 | 28 M 64 | 29 A 65 | 30 S 66 | 31 L 67 | 32 D 68 | 33 E 70 | 34 F 71 | 35 V 72 | 36 L 73 | 37 R 74 | 38 L 75 | 39 E 76 | 40 G 77 |
| • | • | • | • | • | |||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 78 | 42 A 91 | 43 L 92 | 44 V 93 | 45 T 94 | 46 K 95 | 47 F 96 | 48 M 97 | 49 E 98 | 50 N 99 | 51 G 100 | 52 S 101 | 53 L 102 | 54 S 103 | 55 G 104 | 56 L 105 | 57 L 106 | 58 Q 107 | 59 S 108 | 60 H 132 |
| • | • | • | •• | ••• | • | • | |||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 D 133 | 62 Q 134 | 63 N 135 | 64 P 136 | 65 V 137 | 66 L 138 | 67 L 139 | 68 H 140 | 69 R 141 | 70 D 142 | 71 L 143 | 72 K 144 | 73 P 145 | 74 S 146 | 75 N 147 | 76 V 148 | 77 L 149 | 78 L 150 | 79 L 158 | 80 A 159 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 160 | 82 F 161 | 83 G 162 | 84 L 163 | 85 _ _ | |||||||||||||||
| •• | •• | ||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
