PDB-code
| More entries for 2UUE | |||
| 2UUE | Chain: | C | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 53° (15.7Å) |
| G-rich loop rotation: | 74.5° |
| Quality Score: | 8 |
| Resolution: | 2.06 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I5 | Ligand Yes | Protein Yes | |
| Pocket alignment | |
| Uniprot sequence: | EKIGEGTYGVVYKVALKKITAIREISLLKELNPNIVKLLDVYLVFEFLH-QDLKKFMDAFCHSHRVLHRDLKPQNLLILADFGLA |
| Sequence structure: | EKIGEGTYGVVYKVALKKITAIREISLLKELNPNIVKLLDVYLVFEFLH_QDLKKFMDAFCHSHRVLHRDLKPQNLLILADFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL482967 |
| Bioaffinities: | 111 records for 94 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | 3-phosphoinositide dependent protein kinase-1 | 6.3 | 6.3 | 6.3 | pKi | 1 |
| Homo sapiens | AMP-activated protein kinase, alpha-1 subunit | 6.3 | 6.3 | 6.3 | pKi | 1 |
| Homo sapiens | BR serine/threonine-protein kinase 1 | 7.1 | 7.1 | 7.1 | pKi | 1 |
| Homo sapiens | CaM kinase II alpha | 5.3 | 5.3 | 5.3 | pKi | 1 |
| Homo sapiens | CaM kinase II beta | 5.3 | 5.3 | 5.3 | pKi | 1 |
| Homo sapiens | CaM kinase II delta | 6 | 6 | 6 | pKi | 1 |
| Homo sapiens | CaM kinase II gamma | 5.9 | 5.9 | 5.9 | pKi | 1 |
| Homo sapiens | cAMP-dependent protein kinase alpha-catalytic subunit | 5.8 | 5.8 | 5.8 | pKi | 1 |
| Homo sapiens | Casein kinase I alpha | 6.6 | 6.6 | 6.6 | pKi | 1 |
| Homo sapiens | Casein kinase I delta | 7.3 | 7.3 | 7.3 | pKi | 1 |
| Homo sapiens | Casein kinase I gamma 1 | 5.7 | 5.7 | 5.7 | pKi | 1 |
| Homo sapiens | Casein kinase I gamma 2 | 6.3 | 6.3 | 6.3 | pKi | 1 |
| Homo sapiens | Casein kinase II alpha | 6.9 | 6.9 | 6.9 | pKi | 1 |
| Homo sapiens | Cell division cycle 7-related protein kinase | 6.7 | 6.7 | 6.7 | pKi | 1 |
| Homo sapiens | c-Jun N-terminal kinase 1 | 7.1 | 7.1 | 7.1 | pKi | 1 |
| Homo sapiens | c-Jun N-terminal kinase 2 | 7.1 | 7.1 | 7.1 | pKi | 1 |
| Homo sapiens | Cyclin-dependent kinase 1 | 6.4 | 6.4 | 6.4 | pKi | 1 |
| Homo sapiens | Cyclin-dependent kinase 2 | 6.4 | 6.4 | 7 | pKi | 2 |
| Homo sapiens | Cyclin-dependent kinase 4 | 6 | 6 | 6 | pKi | 1 |
| Homo sapiens | Cyclin-dependent kinase 5 | 6.7 | 6.7 | 6.7 | pKi | 1 |
| Homo sapiens | Cyclin-dependent kinase 9 | 6.3 | 6.3 | 6.3 | pKi | 1 |
| Homo sapiens | Death-associated protein kinase 3 | 6.9 | 6.9 | 6.9 | pKi | 1 |
| Homo sapiens | Dual specificity protein kinase CLK2 | 6.3 | 6.3 | 6.3 | pKi | 1 |
| Homo sapiens | Dual specificity protein kinase CLK4 | 7.1 | 7.1 | 7.1 | pKi | 1 |
| Homo sapiens | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 6.6 | 6.6 | 6.6 | pKi | 1 |
| Homo sapiens | Ephrin type-A receptor 2 | 6.6 | 6.6 | 6.6 | pKi | 1 |
| Homo sapiens | Epidermal growth factor receptor erbB1 | 6 | 6 | 6 | pKi | 1 |
| Homo sapiens | Fibroblast growth factor receptor 1 | 6.6 | 6.6 | 6.6 | pKi | 1 |
| Homo sapiens | Fibroblast growth factor receptor 3 | 6.9 | 6.9 | 6.9 | pKi | 1 |
| Homo sapiens | Glycogen synthase kinase-3 alpha | 5.9 | 5.9 | 5.9 | pKi | 1 |
| Homo sapiens | Glycogen synthase kinase-3 beta | 5.8 | 5.8 | 5.8 | pKi | 1 |
| Homo sapiens | Hepatocyte growth factor receptor | 5.7 | 5.7 | 5.7 | pKi | 1 |
| Homo sapiens | Homeodomain-interacting protein kinase 2 | 7.2 | 7.2 | 7.2 | pKi | 1 |
| Homo sapiens | Homeodomain-interacting protein kinase 4 | 6.7 | 6.7 | 6.7 | pKi | 1 |
| Homo sapiens | Inhibitor of nuclear factor kappa B kinase epsilon subunit | 6.5 | 6.5 | 6.5 | pKi | 1 |
| Homo sapiens | Insulin receptor | 5.9 | 5.9 | 5.9 | pKi | 1 |
| Homo sapiens | Interleukin-1 receptor-associated kinase 1 | 7.1 | 7.1 | 7.1 | pKi | 1 |
| Homo sapiens | Interleukin-1 receptor-associated kinase 4 | 6.4 | 6.4 | 6.4 | pKi | 1 |
| Homo sapiens | Leukocyte tyrosine kinase receptor | 6.4 | 6.4 | 6.4 | pKi | 1 |
| Homo sapiens | Macrophage colony stimulating factor receptor | 6.2 | 6.2 | 6.2 | pKi | 1 |
| Homo sapiens | MAP kinase p38 gamma | 5.3 | 5.3 | 5.3 | pKi | 1 |
| Homo sapiens | MAP kinase signal-integrating kinase 2 | 6.7 | 6.7 | 6.7 | pKi | 1 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 2 | 6 | 6 | 6 | pKi | 1 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 4 | 6.6 | 6.6 | 6.6 | pKi | 1 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 5 | 5.7 | 5.7 | 5.7 | pKi | 1 |
| Homo sapiens | Mixed lineage kinase 7 | 5.7 | 5.7 | 5.7 | pKi | 1 |
| Homo sapiens | NT-3 growth factor receptor | 6.3 | 6.3 | 6.3 | pKi | 1 |
| Homo sapiens | Phosphorylase kinase gamma subunit 2 | 6.4 | 6.4 | 6.4 | pKi | 1 |
| Homo sapiens | Platelet-derived growth factor receptor alpha | 7 | 7 | 7 | pKi | 1 |
| Homo sapiens | Protein kinase C nu | 7 | 7 | 7 | pKi | 1 |
| Homo sapiens | Protein kinase N2 | 5.8 | 5.8 | 5.8 | pKi | 1 |
| Homo sapiens | Proto-oncogene tyrosine-protein kinase ROS | 6.9 | 6.9 | 6.9 | pKi | 1 |
| Homo sapiens | Rho-associated protein kinase 1 | 6.3 | 6.3 | 6.3 | pKi | 1 |
| Homo sapiens | Rho-associated protein kinase 2 | 7 | 7 | 7 | pKi | 1 |
| Homo sapiens | Ribosomal protein S6 kinase 1 | 5.4 | 5.4 | 6.3 | pKi | 2 |
| Homo sapiens | Ribosomal protein S6 kinase alpha 3 | 5.7 | 5.7 | 5.7 | pKi | 2 |
| Homo sapiens | Serine/threonine-protein kinase 17A | 7.3 | 7.3 | 7.3 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase 2 | 6.3 | 6.3 | 6.3 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase AKT | 5.1 | 5.1 | 5.1 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-A | 7.4 | 7.4 | 7.4 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-A | 7.5 | 7.5 | 8.1 | pKi | 2 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-B | 7.7 | 7.7 | 7.7 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-B | 8 | 8 | 8.6 | pKi | 2 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-C | 7.2 | 7.2 | 7.2 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase Chk1 | 6 | 6 | 6 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase Chk2 | 5.8 | 5.8 | 5.8 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase c-TAK1 | 7.3 | 7.3 | 7.3 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase D2 | 6.5 | 6.5 | 6.5 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase MST2 | 6.1 | 6.1 | 6.1 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase NEK2 | 6.1 | 6.1 | 6.1 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase Nek4 | 6.4 | 6.4 | 6.4 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase PAK 4 | 5.9 | 5.9 | 5.9 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase PLK4 | 7.6 | 7.6 | 7.6 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase Sgk2 | 6.6 | 6.6 | 6.6 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase TAO1 | 5.7 | 5.7 | 5.7 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase TBK1 | 7.2 | 7.2 | 7.2 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase WEE1 | 6.3 | 6.3 | 6.3 | pKi | 1 |
| Homo sapiens | Stem cell growth factor receptor | 6.4 | 6.4 | 6.4 | pKi | 1 |
| Homo sapiens | Tyrosine kinase non-receptor protein 2 | 6.8 | 6.8 | 6.8 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase ABL | 6.2 | 6.2 | 6.2 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase BLK | 6.3 | 6.3 | 6.3 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase FER | 6.3 | 6.3 | 6.3 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase FRK | 6.8 | 6.8 | 6.8 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase FYN | 6.6 | 6.6 | 6.6 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase ITK/TSK | 6 | 6 | 6 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase JAK2 | 7.2 | 7.2 | 7.2 | pKi | 2 |
| Homo sapiens | Tyrosine-protein kinase JAK3 | 6.2 | 6.2 | 6.2 | pKi | 2 |
| Homo sapiens | Tyrosine-protein kinase LCK | 5.6 | 5.6 | 6.2 | pKi | 2 |
| Homo sapiens | Tyrosine-protein kinase Lyn | 6.6 | 6.6 | 6.6 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor FLT3 | 7.1 | 7.1 | 7.6 | pIC50 | 2 |
| Homo sapiens | Tyrosine-protein kinase receptor FLT3 | 7.4 | 7.4 | 8 | pKi | 2 |
| Homo sapiens | Tyrosine-protein kinase receptor RET | 6.9 | 6.9 | 6.9 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase SRC | 6.1 | 6.1 | 6.5 | pKi | 2 |
| Homo sapiens | Tyrosine-protein kinase SYK | 6.4 | 6.4 | 6.4 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase TYK2 | 7.1 | 7.1 | 7.1 | pKi | 2 |
| Homo sapiens | Vascular endothelial growth factor receptor 1 | 7 | 7 | 7 | pKi | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 7.2 | 7.2 | 7.2 | pIC50 | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 6.7 | 6.7 | 7.4 | pKi | 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 8 | 2 K 9 | 3 I 10 | 4 G 11 | 5 E 12 | 6 G 13 | 7 T 14 | 8 Y 15 | 9 G 16 | 10 V 17 | 11 V 18 | 12 Y 19 | 13 K 20 | 14 V 30 | 15 A 31 | 16 L 32 | 17 K 33 | 18 K 34 | 19 I 35 | 20 T 47 |
| • | • | • | •• | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 A 48 | 22 I 49 | 23 R 50 | 24 E 51 | 25 I 52 | 26 S 53 | 27 L 54 | 28 L 55 | 29 K 56 | 30 E 57 | 31 L 58 | 32 N 59 | 33 P 61 | 34 N 62 | 35 I 63 | 36 V 64 | 37 K 65 | 38 L 66 | 39 L 67 | 40 D 68 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 69 | 42 Y 77 | 43 L 78 | 44 V 79 | 45 F 80 | 46 E 81 | 47 F 82 | 48 L 83 | 49 H 84 | 50 _ _ | 51 Q 85 | 52 D 86 | 53 L 87 | 54 K 88 | 55 K 89 | 56 F 90 | 57 M 91 | 58 D 92 | 59 A 93 | 60 F 117 |
| • | • | • | •• | • | • | • | •• | ||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 C 118 | 62 H 119 | 63 S 120 | 64 H 121 | 65 R 122 | 66 V 123 | 67 L 124 | 68 H 125 | 69 R 126 | 70 D 127 | 71 L 128 | 72 K 129 | 73 P 130 | 74 Q 131 | 75 N 132 | 76 L 133 | 77 L 134 | 78 I 135 | 79 L 143 | 80 A 144 |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 145 | 82 F 146 | 83 G 147 | 84 L 148 | 85 A 149 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:





