PDB-code
| More entries for 5Y7Z | |||
| 5Y7Z | Chain: | B | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 58° (18.1Å) |
| G-rich loop rotation: | 43.8° |
| Quality Score: | 8 |
| Resolution: | 2.8 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front gate | BP-I-B | |||
| Pocket alignment | |
| Uniprot sequence: | RVLAEGGFAFVYEYALKRLAIIQEVCFMKKLSPNIVQFCSALLLTELCK-GQLVEFLKKHRQKPPIIHRDLKVENLLLLCDFGSA |
| Sequence structure: | RVLAEGGFAFVYEYALKRLAIIQEVCFMKKLSPNIVQFCSALLLTELCK_GQLVEFLKKHRQKPPIIHRDLKVENLLLLCDFGSA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL939 |
| Bioaffinities: | 376 records for 84 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | BR serine/threonine-protein kinase 1 | 5.5 | 5.5 | 5.5 | pKi | 2 |
| Homo sapiens | CaM kinase II delta | 5.6 | 5.6 | 5.6 | pKi | 2 |
| Homo sapiens | CaM kinase II gamma | 5.5 | 5.5 | 5.5 | pKi | 2 |
| Homo sapiens | Casein kinase I delta | 5.5 | 5.5 | 5.5 | pKd | 1 |
| Homo sapiens | Casein kinase I delta | 5.1 | 5.1 | 5.1 | pKi | 2 |
| Homo sapiens | Casein kinase I epsilon | 6.4 | 5.7 | 6.4 | pKd | 3 |
| Homo sapiens | Citron Rho-interacting kinase | 5.9 | 5.9 | 5.9 | pKd | 2 |
| Homo sapiens | c-Jun N-terminal kinase 2 | 5.8 | 5.8 | 5.9 | pKd | 2 |
| Homo sapiens | c-Jun N-terminal kinase 2 | 5.6 | 5.6 | 5.6 | pKi | 2 |
| Homo sapiens | c-Jun N-terminal kinase 3 | 5.5 | 5.5 | 5.6 | pKd | 3 |
| Homo sapiens | c-Jun N-terminal kinase 3 | 6.1 | 6.1 | 6.1 | pKi | 2 |
| Homo sapiens | Cyclin-dependent kinase 7 | 6.2 | 6.2 | 6.2 | pKd | 1 |
| Homo sapiens | Death-associated protein kinase 3 | 5.2 | 5.2 | 5.2 | pKd | 2 |
| Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 5 | 6.2 | 6.2 | 6.2 | pKd | 1 |
| Homo sapiens | Ephrin type-A receptor 1 | 5.4 | 5.4 | 5.4 | pKd | 2 |
| Homo sapiens | Ephrin type-A receptor 3 | 5.3 | 5.3 | 5.3 | pKd | 1 |
| Homo sapiens | Ephrin type-A receptor 5 | 5.8 | 5.8 | 5.8 | pKd | 1 |
| Homo sapiens | Ephrin type-A receptor 6 | 6.2 | 5.9 | 6.2 | pKd | 3 |
| Homo sapiens | Ephrin type-A receptor 8 | 5.8 | 5.8 | 5.8 | pKd | 2 |
| Homo sapiens | Ephrin type-B receptor 1 | 5.1 | 5.1 | 5.9 | pKd | 2 |
| Homo sapiens | Ephrin type-B receptor 4 | 6 | 6 | 6 | pIC50 | 1 |
| Homo sapiens | Ephrin type-B receptor 4 | 5.6 | 5.6 | 5.6 | pKd | 1 |
| Homo sapiens | Epidermal growth factor receptor erbB1 | 5 | 5 | 5.7 | pEC50 | 2 |
| Homo sapiens | Epidermal growth factor receptor erbB1 | 7.7 | 4.6 | 10 | pIC50 | 112 |
| Homo sapiens | Epidermal growth factor receptor erbB1 | 9 | 6.9 | 9.3 | pKd | 27 |
| Homo sapiens | Epidermal growth factor receptor erbB1 | 9.4 | 9.4 | 9.4 | pKi | 1 |
| Homo sapiens | Hepatocyte growth factor receptor | 5.5 | 5.5 | 5.5 | pKd | 1 |
| Homo sapiens | Homeodomain-interacting protein kinase 4 | 6.5 | 6.5 | 6.5 | pKd | 1 |
| Homo sapiens | Homeodomain-interacting protein kinase 4 | 5.9 | 5.9 | 5.9 | pKi | 2 |
| Homo sapiens | Interleukin-1 receptor-associated kinase 1 | 7.2 | 7.2 | 7.2 | pKd | 1 |
| Homo sapiens | Interleukin-1 receptor-associated kinase 1 | 6.5 | 6.5 | 6.5 | pKi | 2 |
| Homo sapiens | Interleukin-1 receptor-associated kinase 3 | 5.8 | 5.8 | 5.8 | pKd | 2 |
| Homo sapiens | Interleukin-1 receptor-associated kinase 4 | 6.3 | 6.3 | 6.3 | pKd | 1 |
| Homo sapiens | Interleukin-1 receptor-associated kinase 4 | 6 | 6 | 6 | pKi | 2 |
| Homo sapiens | Leukocyte tyrosine kinase receptor | 5.3 | 5.3 | 5.3 | pKd | 1 |
| Homo sapiens | LIM domain kinase 1 | 5.4 | 5.4 | 5.4 | pKi | 2 |
| Homo sapiens | MAP kinase-interacting serine/threonine-protein kinase MNK1 | 6.5 | 6.5 | 6.5 | pKd | 2 |
| Homo sapiens | MAP kinase p38 alpha | 6.3 | 6.3 | 6.3 | pKi | 2 |
| Homo sapiens | MAP kinase signal-integrating kinase 2 | 5.9 | 5.9 | 6.4 | pKd | 3 |
| Homo sapiens | MAP kinase signal-integrating kinase 2 | 6.4 | 6.4 | 6.4 | pKi | 2 |
| Homo sapiens | Misshapen-like kinase 1 | 4.8 | 4.8 | 4.8 | pIC50 | 1 |
| Homo sapiens | Misshapen-like kinase 1 | 5.8 | 5.8 | 5.8 | pKd | 1 |
| Homo sapiens | Misshapen-like kinase 1 | 5.3 | 5.3 | 5.3 | pKi | 2 |
| Homo sapiens | Mitogen-activated protein kinase 4 | 5.5 | 5.5 | 5.5 | pKd | 2 |
| Homo sapiens | Mitogen-activated protein kinase 6 | 5.8 | 5.8 | 5.8 | pKd | 2 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 2 | 5.5 | 5.5 | 5.5 | pKd | 1 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 3 | 5.7 | 5.7 | 5.7 | pKd | 1 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 4 | 6 | 6 | 6 | pKi | 2 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 5 | 5.8 | 5.8 | 5.8 | pKi | 2 |
| Homo sapiens | myosin light chain kinase 2 | 5.7 | 5.7 | 5.7 | pKd | 2 |
| Homo sapiens | Myotonin-protein kinase | 5.2 | 5.2 | 5.2 | pKd | 2 |
| Homo sapiens | NUAK family SNF1-like kinase 2 | 5.3 | 5.3 | 5.3 | pKd | 1 |
| Homo sapiens | Phosphorylase kinase gamma subunit 1 | 5.4 | 5.4 | 5.4 | pKd | 2 |
| Homo sapiens | Phosphorylase kinase gamma subunit 2 | 5.2 | 5.2 | 5.6 | pKd | 2 |
| Homo sapiens | Phosphorylase kinase gamma subunit 2 | 5.5 | 5.5 | 5.5 | pKi | 2 |
| Homo sapiens | Protein kinase C mu | 5.5 | 5.5 | 5.5 | pKd | 1 |
| Homo sapiens | Protein kinase C nu | 5.9 | 5.9 | 5.9 | pKi | 2 |
| Homo sapiens | Receptor protein-tyrosine kinase erbB-2 | 6.5 | 5.4 | 7.6 | pIC50 | 14 |
| Homo sapiens | Receptor protein-tyrosine kinase erbB-2 | 5.5 | 5.5 | 6 | pKd | 3 |
| Homo sapiens | Receptor protein-tyrosine kinase erbB-2 | 7.6 | 7.6 | 7.6 | pKi | 2 |
| Homo sapiens | Receptor protein-tyrosine kinase erbB-4 | 6.3 | 6.3 | 6.3 | pIC50 | 1 |
| Homo sapiens | Receptor protein-tyrosine kinase erbB-4 | 6.4 | 6.4 | 6.4 | pKd | 1 |
| Homo sapiens | Receptor protein-tyrosine kinase erbB-4 | 6.8 | 6.8 | 6.8 | pKi | 2 |
| Homo sapiens | Receptor tyrosine-protein kinase erbB-3 | 6.1 | 6.1 | 6.1 | pKd | 1 |
| Homo sapiens | Ribosomal protein S6 kinase alpha 4 | 5.9 | 5.9 | 5.9 | pKd | 2 |
| Homo sapiens | Serine/threonine-protein kinase 10 | 6.3 | 6.1 | 6.3 | pKd | 3 |
| Homo sapiens | Serine/threonine-protein kinase 17A | 5.7 | 5.5 | 5.7 | pKd | 3 |
| Homo sapiens | Serine/threonine-protein kinase 17B | 5.4 | 5.2 | 5.4 | pKd | 3 |
| Homo sapiens | Serine/threonine-protein kinase 2 | 6 | 6 | 6 | pKd | 3 |
| Homo sapiens | Serine/threonine-protein kinase 2 | 6.4 | 6.4 | 6.4 | pKi | 2 |
| Homo sapiens | Serine/threonine-protein kinase 36 | 5.2 | 5.2 | 5.2 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase B-raf | 4.5 | 4.5 | 5.7 | pIC50 | 2 |
| Homo sapiens | Serine/threonine-protein kinase Chk2 | 6.1 | 6.1 | 6.1 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase Chk2 | 6.2 | 6.2 | 6.2 | pKi | 2 |
| Homo sapiens | Serine/threonine-protein kinase D2 | 5.6 | 5.6 | 5.6 | pKi | 2 |
| Homo sapiens | Serine/threonine-protein kinase DCLK3 | 5.5 | 5.5 | 5.5 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase GAK | 7.9 | 7.9 | 8.2 | pKd | 4 |
| Homo sapiens | Serine/threonine protein kinase NLK | 5.4 | 5.4 | 5.4 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase PIM1 | 5.7 | 5.7 | 5.7 | pKi | 2 |
| Homo sapiens | Serine/threonine-protein kinase PIM3 | 5.2 | 5.2 | 5.2 | pKd | 2 |
| Homo sapiens | Serine/threonine-protein kinase PIM3 | 5.9 | 5.9 | 5.9 | pKi | 2 |
| Homo sapiens | Serine/threonine-protein kinase RIPK2 | 8.4 | 8.4 | 8.4 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase RIPK2 | 6.3 | 6.1 | 6.3 | pKd | 3 |
| Homo sapiens | Serine/threonine-protein kinase SBK1 | 6.3 | 6.3 | 6.3 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase SIK2 | 5.7 | 5.7 | 5.7 | pKd | 2 |
| Homo sapiens | Serine/threonine-protein kinase SIK2 | 6.5 | 6.5 | 6.5 | pKi | 2 |
| Homo sapiens | SPS1/STE20-related protein kinase YSK4 | 6.6 | 6.6 | 6.6 | pKd | 1 |
| Homo sapiens | Stem cell growth factor receptor | 5.4 | 5.3 | 5.8 | pKd | 5 |
| Homo sapiens | TRAF2- and NCK-interacting kinase | 5.2 | 5.2 | 5.2 | pKd | 1 |
| Homo sapiens | Tyrosine kinase non-receptor protein 2 | 5.6 | 5.6 | 5.6 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase ABL | 5.9 | 5.9 | 5.9 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase ABL | 6.2 | 5.3 | 6.6 | pKd | 12 |
| Homo sapiens | Tyrosine-protein kinase ABL2 | 5.8 | 5.8 | 5.8 | pKd | 1 |
| Homo sapiens | Tyrosine-protein kinase BLK | 5.9 | 5.9 | 5.9 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase BLK | 6 | 6 | 6 | pKi | 2 |
| Homo sapiens | Tyrosine-protein kinase BRK | 6 | 6 | 6 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase FGR | 5.6 | 5.6 | 5.6 | pKd | 1 |
| Homo sapiens | Tyrosine-protein kinase FRK | 5.7 | 5.7 | 5.7 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase FRK | 6.6 | 6.6 | 6.6 | pKi | 2 |
| Homo sapiens | Tyrosine-protein kinase HCK | 7 | 7 | 7 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase HCK | 5.4 | 5.4 | 5.4 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase HCK | 5.6 | 5.6 | 5.6 | pKi | 2 |
| Homo sapiens | Tyrosine-protein kinase LCK | 6.2 | 6 | 6.2 | pKd | 3 |
| Homo sapiens | Tyrosine-protein kinase LCK | 6.4 | 6.4 | 6.4 | pKi | 2 |
| Homo sapiens | Tyrosine-protein kinase Lyn | 6 | 6 | 6 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase Lyn | 6.8 | 6.8 | 6.8 | pKi | 2 |
| Homo sapiens | Tyrosine-protein kinase receptor FLT3 | 5.5 | 5.3 | 6 | pKd | 10 |
| Homo sapiens | Tyrosine-protein kinase receptor RET | 5.8 | 5.8 | 5.8 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor UFO | 5.8 | 5.8 | 5.8 | pKd | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor UFO | 5.8 | 5.8 | 5.8 | pKi | 2 |
| Homo sapiens | Tyrosine-protein kinase SRC | 6 | 6 | 6 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase SRC | 5.4 | 5.3 | 5.4 | pKd | 3 |
| Homo sapiens | Tyrosine-protein kinase TXK | 5.2 | 5.2 | 5.2 | pKd | 2 |
| Mus musculus | ULK3 kinase | 5.9 | 5.9 | 5.9 | pKd | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 4.8 | 4.8 | 7.3 | pIC50 | 4 |
| Homo sapiens | Vascular endothelial growth factor receptor 3 | 5.2 | 5.2 | 5.2 | 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 R 44 | 2 V 45 | 3 L 46 | 4 A 47 | 5 E 48 | 6 G 49 | 7 G 50 | 8 F 51 | 9 A 52 | 10 F 53 | 11 V 54 | 12 Y 55 | 13 E 56 | 14 Y 66 | 15 A 67 | 16 L 68 | 17 K 69 | 18 R 70 | 19 L 71 | 20 A 81 |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 I 82 | 22 I 83 | 23 Q 84 | 24 E 85 | 25 V 86 | 26 C 87 | 27 F 88 | 28 M 89 | 29 K 90 | 30 K 91 | 31 L 92 | 32 S 93 | 33 P 96 | 34 N 97 | 35 I 98 | 36 V 99 | 37 Q 100 | 38 F 101 | 39 C 102 | 40 S 103 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 104 | 42 L 120 | 43 L 121 | 44 L 122 | 45 T 123 | 46 E 124 | 47 L 125 | 48 C 126 | 49 K 127 | 50 _ _ | 51 G 128 | 52 Q 129 | 53 L 130 | 54 V 131 | 55 E 132 | 56 F 133 | 57 L 134 | 58 K 135 | 59 K 136 | 60 H 163 |
| • | • | • | • | •• | • | • | • | • | |||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 R 164 | 62 Q 165 | 63 K 166 | 64 P 167 | 65 P 168 | 66 I 169 | 67 I 170 | 68 H 171 | 69 R 172 | 70 D 173 | 71 L 174 | 72 K 175 | 73 V 176 | 74 E 177 | 75 N 178 | 76 L 179 | 77 L 180 | 78 L 181 | 79 L 189 | 80 C 190 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 191 | 82 F 192 | 83 G 193 | 84 S 194 | 85 A 195 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
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