PDB-code
| Kinase structure | |
| Kinase: | PIK3CA (p110a) |
| Family: | PIK |
| Group: | Atypical |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2153 |
| PDB: | 4YKN |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2015-06-17 |
| PubMed: | 20457255 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | 4EL |
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| More entries for 4YKN | |||||
| 4YKN | Alternative model: | A | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 54.4° (16.4Å) |
| G-rich loop rotation: | 77.4° |
| Quality Score: | 8 |
| Resolution: | 2.9 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | FP-II | |||
| Allosteric Ligand | |||||||||||||||||||
| Allosteric ligand: | 4EL | ||||||||||||||||||
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| Pocket alignment | |
| Uniprot sequence: | CRIMSSAKRPLWLIIFKNGDLRQDMLTLQIIRLRMLPYGCLVGLIEVVRSHTIMQIQCKATFI--LGIGDRHNSNIMVHIDFGHF |
| Sequence structure: | CRIMSSAKRPLWLIIFKNGDLRQDMLTLQIIRLRMLPYGCLVGLIEVVRSHTIMQIQCKATFI__LGIGDRHNSNIMVHIDFGHF |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL3582354 |
| Bioaffinities: | No (p)Ki/(p)IC50/(p)EC50 values for kinases found (confidence ≥ 8). |
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 C 1769 | 2 R 1770 | 3 I 1771 | 4 M 1772 | 5 S 1773 | 6 S 1774 | 7 A 1775 | 8 K 1776 | 9 R 1777 | 10 P 1778 | 11 L 1779 | 12 W 1780 | 13 L 1781 | 14 I 1799 | 15 I 1800 | 16 F 1801 | 17 K 1802 | 18 N 1803 | 19 G 1804 | 20 D 1806 |
| ••• | • | • | •• | • | •• | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 1807 | 22 R 1808 | 23 Q 1809 | 24 D 1810 | 25 M 1811 | 26 L 1812 | 27 T 1813 | 28 L 1814 | 29 Q 1815 | 30 I 1816 | 31 I 1817 | 32 R 1818 | 33 L 1831 | 34 R 1832 | 35 M 1833 | 36 L 1834 | 37 P 1835 | 38 Y 1836 | 39 G 1837 | 40 C 1838 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 L 1839 | 42 V 1845 | 43 G 1846 | 44 L 1847 | 45 I 1848 | 46 E 1849 | 47 V 1850 | 48 V 1851 | 49 R 1852 | 50 S 1854 | 51 H 1855 | 52 T 1856 | 53 I 1857 | 54 M 1858 | 55 Q 1859 | 56 I 1860 | 57 Q 1861 | 58 C 1862 | 59 K 1863 | 60 A 1907 |
| • | • | • | •• | • | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 T 1908 | 62 F 1909 | 63 I 1910 | 64 _ _ | 65 _ _ | 66 L 1911 | 67 G 1912 | 68 I 1913 | 69 G 1914 | 70 D 1915 | 71 R 1916 | 72 H 1917 | 73 N 1918 | 74 S 1919 | 75 N 1920 | 76 I 1921 | 77 M 1922 | 78 V 1923 | 79 H 1931 | 80 I 1932 |
| •• | • | • | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 1933 | 82 F 1934 | 83 G 1935 | 84 H 1936 | 85 F 1937 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
