PDB-code
| Kinase structure | |
| Kinase: | ULK4 |
| Family: | ULK |
| Group: | Other |
| Species: | HUMAN |
| PDB: | 6U5L |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2019-12-25 |
| PubMed: | 31841327 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | 3RJ |
 | |
| More entries for 6U5L | |||||
| 6U5L | Alternative model: | A | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 60.4° (18Å) |
| G-rich loop rotation: | 68.4° |
| Quality Score: | 8 |
| Resolution: | 1.75 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | BP-I-B | Cluster I1 I2 | Ligand Yes No | Protein Yes No |
| Pocket alignment | |
| Uniprot sequence: | EEIGRGSKTVVYKVAILCTEITNWVRLTREIKKNIVTFHEWWLVVELCTGGSLKTVIAQHLHKLGILFCDISPRKILLFSNFCLA |
| Sequence structure: | EEIGRGSKTVVYKVAILCTEITNWVRLTREIKKNIVTFHEWWLVVELCTGGSLKTVIAQHLHKLGILFCDISPRKILLFSNFCLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL3605055 |
| Bioaffinities: | 4 records for 3 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Pyruvate dehydrogenase kinase isoform 1 | 6.4 | 6.4 | 6.4 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase ULK1 | 8.1 | 8.1 | 8.3 | pIC50 | 2 |
| Homo sapiens | Serine/threonine-protein kinase ULK2 | 7.9 | 7.9 | 7.9 | 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 E 8 | 2 E 9 | 3 I 10 | 4 G 11 | 5 R 12 | 6 G 13 | 7 S 14 | 8 K 15 | 9 T 16 | 10 V 17 | 11 V 18 | 12 Y 19 | 13 K 20 | 14 V 30 | 15 A 31 | 16 I 32 | 17 L 33 | 18 C 34 | 19 T 35 | 20 E 42 |
| • | • | • | • | • | • | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 I 43 | 22 T 44 | 23 N 45 | 24 W 46 | 25 V 47 | 26 R 48 | 27 L 49 | 28 T 50 | 29 R 51 | 30 E 52 | 31 I 53 | 32 K 54 | 33 K 56 | 34 N 57 | 35 I 58 | 36 V 59 | 37 T 60 | 38 F 61 | 39 H 62 | 40 E 63 |
| •• | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 W 64 | 42 W 72 | 43 L 73 | 44 V 74 | 45 V 75 | 46 E 76 | 47 L 77 | 48 C 78 | 49 T 79 | 50 G 80 | 51 G 81 | 52 S 82 | 53 L 83 | 54 K 84 | 55 T 85 | 56 V 86 | 57 I 87 | 58 A 88 | 59 Q 89 | 60 H 111 |
| • | • | ••• | • | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 112 | 62 H 113 | 63 K 114 | 64 L 115 | 65 G 116 | 66 I 117 | 67 L 118 | 68 F 119 | 69 C 120 | 70 D 121 | 71 I 122 | 72 S 123 | 73 P 124 | 74 R 125 | 75 K 126 | 76 I 127 | 77 L 128 | 78 L 129 | 79 F 137 | 80 S 138 |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 N 139 | 82 F 140 | 83 C 141 | 84 L 142 | 85 A 143 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
