PDB-code
| Kinase structure | |
| Kinase: | ULK2 |
| Family: | ULK |
| Group: | Other |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2272 |
| PDB: | 6YID |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2020-06-17 |
| PubMed: | 33200929 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | EDJ |
 | |
| More entries for 6YID | |||||
| 6YID | Alternative model: | A | Chain: | A | |
| 6YID | Alternative model: | A | Chain: | B | |
| 6YID | Alternative model: | A | Chain: | C | |
| 6YID | Alternative model: | A | Chain: | D | |
| 6YID | Alternative model: | B | Chain: | B | |
| 6YID | Alternative model: | B | Chain: | C | |
| 6YID | Alternative model: | B | Chain: | D | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 60.6° (17.4Å) |
| G-rich loop rotation: | 58.3° |
| Quality Score: | 8 |
| Resolution: | 2.7 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I5 | Ligand No | Protein Yes | |
| Pocket alignment | |
| Uniprot sequence: | DLVGHGAFAVVFRVAIKSILLGKEIKILKELQENIVALYDVFLVMEYCNGGDLADYLQAILHSKGIIHRDLKPQNILLIADFGFA |
| Sequence structure: | DLVGHGAFAVVFRVAIKSILLGKEIKILKELQENIVALYDVFLVMEYCNGGDLADYLQAILHSKGIIHRDLKPQNILLIADFGFA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL4128069 |
| Bioaffinities: | 2 records for 2 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Serine/threonine-protein kinase ULK1 | 7 | 7 | 7 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase ULK2 | 6.2 | 6.2 | 6.2 | 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 D 13 | 2 L 14 | 3 V 15 | 4 G 16 | 5 H 17 | 6 G 18 | 7 A 19 | 8 F 20 | 9 A 21 | 10 V 22 | 11 V 23 | 12 F 24 | 13 R 25 | 14 V 36 | 15 A 37 | 16 I 38 | 17 K 39 | 18 S 40 | 19 I 41 | 20 L 52 |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 53 | 22 G 54 | 23 K 55 | 24 E 56 | 25 I 57 | 26 K 58 | 27 I 59 | 28 L 60 | 29 K 61 | 30 E 62 | 31 L 63 | 32 Q 64 | 33 E 66 | 34 N 67 | 35 I 68 | 36 V 69 | 37 A 70 | 38 L 71 | 39 Y 72 | 40 D 73 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 74 | 42 F 82 | 43 L 83 | 44 V 84 | 45 M 85 | 46 E 86 | 47 Y 87 | 48 C 88 | 49 N 89 | 50 G 90 | 51 G 91 | 52 D 92 | 53 L 93 | 54 A 94 | 55 D 95 | 56 Y 96 | 57 L 97 | 58 Q 98 | 59 A 99 | 60 I 121 |
| • | • | • | ••• | • | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 122 | 62 H 123 | 63 S 124 | 64 K 125 | 65 G 126 | 66 I 127 | 67 I 128 | 68 H 129 | 69 R 130 | 70 D 131 | 71 L 132 | 72 K 133 | 73 P 134 | 74 Q 135 | 75 N 136 | 76 I 137 | 77 L 138 | 78 L 139 | 79 I 156 | 80 A 157 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 158 | 82 F 159 | 83 G 160 | 84 F 161 | 85 A 162 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
