PDB-code
| Kinase structure | |
| Kinase: | RIPK2 |
| Family: | RIPK |
| Group: | TKL |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2190 |
| PDB: | 6ES0 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2018-02-21 |
| PubMed: | 29409752 |
| Chain: | A |
| Orthosteric ligand: | BW8 |
 | |
| More entries for 6ES0 | |||
| 6ES0 | Chain: | B | |
| Structural information | |
| DFG conformation: | out |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 56.2° (16.9Å) |
| G-rich loop rotation: | 102.2° |
| Quality Score: | 9.4 |
| Resolution: | 2.38 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 6 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate back | BP-I-B BP-II-out BP-III | Cluster I2 | Ligand No | Protein No |
| Pocket alignment | |
| Uniprot sequence: | RYLSRGASGTVSSVAVKHLDVLREAEILHKARSYILPILGIGIVTEYMPNGSLNELLHRHNMTPPLLHHDLKTQNILLIADFGLS |
| Sequence structure: | RYLSRGASGTVSSVAVKHLDVLREAEILHKARSYILPILGIGIVTEYMPNGSLNELLHRHNMTPPLLHHDLKTQNILLIADFGLS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL4206212 |
| Bioaffinities: | 2 records for 1 kinase |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Serine/threonine-protein kinase RIPK2 | 5.3 | 5.3 | 5.7 | pIC50 | 2 |
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 R 22 | 2 Y 23 | 3 L 24 | 4 S 25 | 5 R 26 | 6 G 27 | 7 A 28 | 8 S 29 | 9 G 30 | 10 T 31 | 11 V 32 | 12 S 33 | 13 S 34 | 14 V 44 | 15 A 45 | 16 V 46 | 17 K 47 | 18 H 48 | 19 L 49 | 20 D 62 |
| • | •• | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 V 63 | 22 L 64 | 23 R 65 | 24 E 66 | 25 A 67 | 26 E 68 | 27 I 69 | 28 L 70 | 29 H 71 | 30 K 72 | 31 A 73 | 32 R 74 | 33 S 76 | 34 Y 77 | 35 I 78 | 36 L 79 | 37 P 80 | 38 I 81 | 39 L 82 | 40 G 83 |
| •• | • | • | • | ||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 I 84 | 42 G 92 | 43 I 93 | 44 V 94 | 45 T 95 | 46 E 96 | 47 Y 97 | 48 M 98 | 49 P 99 | 50 N 100 | 51 G 101 | 52 S 102 | 53 L 103 | 54 N 104 | 55 E 105 | 56 L 106 | 57 L 107 | 58 H 108 | 59 R 109 | 60 H 136 |
| • | • | • | • | ••• | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 N 137 | 62 M 138 | 63 T 139 | 64 P 140 | 65 P 141 | 66 L 142 | 67 L 143 | 68 H 144 | 69 H 145 | 70 D 146 | 71 L 147 | 72 K 148 | 73 T 149 | 74 Q 150 | 75 N 151 | 76 I 152 | 77 L 153 | 78 L 154 | 79 I 162 | 80 A 163 |
| • | • | • | • | • | |||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 164 | 82 F 165 | 83 G 166 | 84 L 167 | 85 S 168 | |||||||||||||||
| ••• | •• | ||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
