PDB-code
| Kinase structure | |
| Kinase: | RIPK1 |
| Family: | RIPK |
| Group: | TKL |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2189 |
| PDB: | 6C4D |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2018-03-21 |
| PubMed: | 29485864 |
| Chain: | C |
| Orthosteric ligand: | EJP |
 | |
| More entries for 6C4D | |||
| 6C4D | Chain: | A | |
| 6C4D | Chain: | B | |
| 6C4D | Chain: | D | |
| Structural information | |
| DFG conformation: | out |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | - |
| G-rich loop rotation: | - |
| Quality Score: | 6 |
| Resolution: | 2.52 Å |
| Missing Residues: | 5 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| gate back | FP-II BP-I-A BP-I-B BP-III | |||
| Pocket alignment | |
| Uniprot sequence: | AELDSGGFGKVSLMIMKTVALLEEAKMMNRLRSRVVKLLGVSLVMEYMEKGNLMHVLKAYLHGKGVIHKDLKPENILVIADLGLA |
| Sequence structure: | AELD_____KVSLMIMKTVALLEEAKMMNRLRSRVVKLLGVSLVMEYMEKGNLMHVLKAYLHGKGVIHKDLKPENILVIADLGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL4100398 |
| Bioaffinities: | 4 records for 2 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Receptor-interacting serine/threonine-protein kinase 1 | 8.9 | 8.9 | 8.9 | pIC50 | 1 |
| Homo sapiens | Receptor-interacting serine/threonine-protein kinase 1 | 9 | 9 | 9 | pKi | 1 |
| Mus musculus | Receptor-interacting serine/threonine-protein kinase 1 | 8.6 | 8.6 | 8.6 | pIC50 | 1 |
| Mus musculus | Receptor-interacting serine/threonine-protein kinase 1 | 7.1 | 7.1 | 7.1 | pKi | 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 A 21 | 2 E 22 | 3 L 23 | 4 D 24 | 5 _ _ | 6 _ _ | 7 _ _ | 8 _ _ | 9 _ _ | 10 K 30 | 11 V 31 | 12 S 32 | 13 L 33 | 14 M 42 | 15 I 43 | 16 M 44 | 17 K 45 | 18 T 46 | 19 V 47 | 20 A 59 |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 60 | 22 L 61 | 23 E 62 | 24 E 63 | 25 A 64 | 26 K 65 | 27 M 66 | 28 M 67 | 29 N 68 | 30 R 69 | 31 L 70 | 32 R 71 | 33 S 73 | 34 R 74 | 35 V 75 | 36 V 76 | 37 K 77 | 38 L 78 | 39 L 79 | 40 G 80 |
| • | • | • | • | • | |||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 81 | 42 S 89 | 43 L 90 | 44 V 91 | 45 M 92 | 46 E 93 | 47 Y 94 | 48 M 95 | 49 E 96 | 50 K 97 | 51 G 98 | 52 N 99 | 53 L 100 | 54 M 101 | 55 H 102 | 56 V 103 | 57 L 104 | 58 K 105 | 59 A 106 | 60 Y 128 |
| • | • | • | |||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 129 | 62 H 130 | 63 G 131 | 64 K 132 | 65 G 133 | 66 V 134 | 67 I 135 | 68 H 136 | 69 K 137 | 70 D 138 | 71 L 139 | 72 K 140 | 73 P 141 | 74 E 142 | 75 N 143 | 76 I 144 | 77 L 145 | 78 V 146 | 79 I 154 | 80 A 155 |
| • | • | •• | • | • | |||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 156 | 82 L 157 | 83 G 158 | 84 L 159 | 85 A 160 | |||||||||||||||
| •• | • | • | |||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
