PDB-code
| Kinase structure | |
| Kinase: | ULK3 |
| Family: | ULK |
| Group: | Other |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2273 |
| PDB: | 6FDZ |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2018-08-01 |
| Chain: | U |
| Orthosteric ligand: | C87 |
 | |
| Structural information | |
| DFG conformation: | out |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 61.5° (18.5Å) |
| G-rich loop rotation: | 54.5° |
| Quality Score: | 8 |
| Resolution: | 2.55 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 21 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | FP-II | |||
| Pocket alignment | |
| Uniprot sequence: | ERLGSGTYATVYKVAIKCVNLLTEIEILKGIRPHIVQLKDFYLIMEFCAGGDLSRFIHTFLHERNISHLDLKPQNILLLADFGFA |
| Sequence structure: | ERLGSGTYATVYKVAIKCVNLLTEIEILKGIRPHIVQLKDFYLIMEFCAGGDLSRFIHTFLHERNISHLDLKPQNILLLADFGFA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1078178 |
| Bioaffinities: | 21 records for 8 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Activin receptor type-1 | 8.1 | 8.1 | 8.1 | pIC50 | 1 |
| Homo sapiens | Activin receptor type-1 | 7.6 | 7.6 | 7.6 | pKd | 1 |
| Homo sapiens | Bone morphogenetic protein receptor type-1A | 6.4 | 6.4 | 6.4 | pIC50 | 1 |
| Homo sapiens | Bone morphogenetic protein receptor type-1A | 6 | 6 | 6 | pKd | 1 |
| Homo sapiens | Bone morphogenetic protein receptor type-1B | 7 | 7 | 7 | pIC50 | 1 |
| Homo sapiens | Bone morphogenetic protein receptor type-1B | 7.7 | 7.7 | 7.7 | pKd | 1 |
| Homo sapiens | TGF-beta receptor type I | 6.7 | 6.7 | 6.7 | pIC50 | 1 |
| Homo sapiens | TGF-beta receptor type I | 6.2 | 6.2 | 6.2 | pKd | 1 |
| Homo sapiens | Tyrosine-protein kinase JAK1 | 8 | 8 | 8 | pIC50 | 4 |
| Homo sapiens | Tyrosine-protein kinase JAK2 | 7.8 | 7.4 | 8 | pIC50 | 6 |
| Mus musculus | Tyrosine-protein kinase JAK2 | 5.8 | 5.8 | 5.8 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase JAK3 | 6.8 | 6.8 | 6.8 | 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 E 18 | 2 R 19 | 3 L 20 | 4 G 21 | 5 S 22 | 6 G 23 | 7 T 24 | 8 Y 25 | 9 A 26 | 10 T 27 | 11 V 28 | 12 Y 29 | 13 K 30 | 14 V 41 | 15 A 42 | 16 I 43 | 17 K 44 | 18 C 45 | 19 V 46 | 20 N 58 |
| • | • | • | • | • | • | • | •• | ||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 59 | 22 L 60 | 23 T 61 | 24 E 62 | 25 I 63 | 26 E 64 | 27 I 65 | 28 L 66 | 29 K 67 | 30 G 68 | 31 I 69 | 32 R 70 | 33 P 72 | 34 H 73 | 35 I 74 | 36 V 75 | 37 Q 76 | 38 L 77 | 39 K 78 | 40 D 79 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 F 80 | 42 Y 88 | 43 L 89 | 44 I 90 | 45 M 91 | 46 E 92 | 47 F 93 | 48 C 94 | 49 A 95 | 50 G 96 | 51 G 97 | 52 D 98 | 53 L 99 | 54 S 100 | 55 R 101 | 56 F 102 | 57 I 103 | 58 H 104 | 59 T 105 | 60 F 127 |
| • | • | •• | ••• | • | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 128 | 62 H 129 | 63 E 130 | 64 R 131 | 65 N 132 | 66 I 133 | 67 S 134 | 68 H 135 | 69 L 136 | 70 D 137 | 71 L 138 | 72 K 139 | 73 P 140 | 74 Q 141 | 75 N 142 | 76 I 143 | 77 L 144 | 78 L 145 | 79 L 155 | 80 A 156 |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 157 | 82 F 158 | 83 G 159 | 84 F 160 | 85 A 161 | |||||||||||||||
| •• | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
