9D6N
Loop-Deleted DNA Polymerase Theta in Complex with a dsDNA Overhang and an Allostertic Inhibitor
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, D (A, B) | DNA polymerase theta | polymer | 652 | 72589.8 | 2 | UniProt (O75417) Pfam (PF00476) | Homo sapiens (human) | DNA polymerase eta |
| 2 | B, E (E, C) | DNA Template | polymer | 24 | 7372.7 | 2 | synthetic construct | ||
| 3 | C, F (F, D) | DNA Primer | polymer | 14 | 4266.8 | 2 | synthetic construct | ||
| 4 | G, J (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 5 | H, K (A, B) | 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE | non-polymer | 491.2 | 2 | Chemie (DG3) | |||
| 6 | I, L (A, B) | 2-{3-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl}-4,6-bis(trifluoromethyl)phenyl (4-fluorophenyl)(methyl)carbamate | non-polymer | 566.5 | 2 | Chemie (A1A2C) | |||
| 7 | M, N, O, P, Q... (A, E, F, B, C...) | water | water | 18.0 | 308 | Chemie (HOH) |
Sequence modifications
A, B: 1819 - 2590 (UniProt: O75417)
| PDB | External Database | Details |
|---|---|---|
| Gly 1893 | - | insertion |
| - | Leu 1862 | deletion |
| - | Thr 1863 | deletion |
| - | Ser 1864 | deletion |
| - | Ser 1865 | deletion |
| - | Lys 1866 | deletion |
| - | Thr 1867 | deletion |
| - | Ala 1868 | deletion |
| - | Thr 1869 | deletion |
| - | Ile 1870 | deletion |
| - | Gly 1871 | deletion |
| - | Ser 1872 | deletion |
| - | Arg 1873 | deletion |
| - | Phe 1874 | deletion |
| - | Lys 1875 | deletion |
| - | Gln 1876 | deletion |
| - | Ala 1877 | deletion |
| - | Ser 1878 | deletion |
| - | Ser 1879 | deletion |
| - | Pro 1880 | deletion |
| - | Gln 1881 | deletion |
| - | Glu 1882 | deletion |
| - | Ile 1883 | deletion |
| - | Pro 1884 | deletion |
| - | Ile 1885 | deletion |
| - | Arg 1886 | deletion |
| - | Asp 1887 | deletion |
| - | Asp 1888 | deletion |
| - | Gly 1889 | deletion |
| - | Phe 1890 | deletion |
| - | Pro 1891 | deletion |
| - | Ile 1892 | deletion |
| - | Lys 1893 | deletion |
| - | Gly 1894 | deletion |
| Gly 1895 | Cys 1895 | conflict |
| Gly 1918 | Gln 1918 | conflict |
| Gly 1931 | Lys 1919 | conflict |
| - | Glu 1920 | deletion |
| - | Gln 1921 | deletion |
| - | Lys 1922 | deletion |
| - | His 1923 | deletion |
| - | Ser 1924 | deletion |
| - | Glu 1925 | deletion |
| - | Ile 1926 | deletion |
| - | Ser 1927 | deletion |
| - | Ala 1928 | deletion |
| - | Ser 1929 | deletion |
| - | Leu 1930 | deletion |
| - | Val 1931 | deletion |
| Ser 1932 | Pro 1932 | conflict |
| Gly 1933 | Pro 1933 | conflict |
| Gly 1934 | Ser 1934 | conflict |
| Gly 2146 | Asn 2146 | conflict |
| Gly 2172 | Arg 2147 | conflict |
| - | Glu 2148 | deletion |
| - | Met 2149 | deletion |
| - | Lys 2150 | deletion |
| - | Asn 2151 | deletion |
| - | Gln 2152 | deletion |
| - | Gly 2153 | deletion |
| - | Ser 2154 | deletion |
| - | Lys 2155 | deletion |
| - | Lys 2156 | deletion |
| - | Thr 2157 | deletion |
| - | Leu 2158 | deletion |
| - | Gly 2159 | deletion |
| - | Ser 2160 | deletion |
| - | Thr 2161 | deletion |
| - | Arg 2162 | deletion |
| - | Arg 2163 | deletion |
| - | Gly 2164 | deletion |
| - | Ile 2165 | deletion |
| - | Asp 2166 | deletion |
| - | Asn 2167 | deletion |
| - | Gly 2168 | deletion |
| - | Arg 2169 | deletion |
| - | Lys 2170 | deletion |
| - | Leu 2171 | deletion |
| - | Arg 2172 | deletion |
| Ser 2173 | Leu 2173 | conflict |
| Gly 2175 | Arg 2175 | conflict |
| - | Pro 2261 | deletion |
| - | Thr 2262 | deletion |
| - | Leu 2263 | deletion |
| - | Val 2264 | deletion |
| - | Gly 2265 | deletion |
| - | Glu 2266 | deletion |
| - | Ser 2267 | deletion |
| - | Pro 2268 | deletion |
| - | Pro 2269 | deletion |
| - | Ser 2270 | deletion |
| - | Gln 2271 | deletion |
| - | Ala 2272 | deletion |
| - | Val 2273 | deletion |
| - | Gly 2274 | deletion |
| - | Lys 2275 | deletion |
| - | Gly 2276 | deletion |
| - | Leu 2277 | deletion |
| - | Leu 2278 | deletion |
| - | Pro 2279 | deletion |
| - | Met 2280 | deletion |
| - | Gly 2281 | deletion |
| - | Arg 2282 | deletion |
| - | Gly 2283 | deletion |
| - | Lys 2284 | deletion |
| - | Tyr 2285 | deletion |
| - | Lys 2286 | deletion |
| - | Lys 2287 | deletion |
| - | Gly 2288 | deletion |
| - | Phe 2289 | deletion |
| - | Ser 2290 | deletion |
| - | Val 2291 | deletion |
| - | Asn 2292 | deletion |
| - | Pro 2293 | deletion |
| - | Arg 2294 | deletion |
| - | Cys 2295 | deletion |
| - | Gln 2296 | deletion |
| - | Ala 2297 | deletion |
| - | Gln 2298 | deletion |
| - | Met 2299 | deletion |
| - | Glu 2300 | deletion |
| - | Glu 2301 | deletion |
| - | Arg 2302 | deletion |
| Gly 2261 | Ala 2303 | conflict |
| Gly 2262 | Ala 2304 | conflict |
| Ser 2263 | Asp 2305 | conflict |
| Gly 2264 | Arg 2306 | conflict |
| - | Gln 2513 | deletion |
| - | Thr 2514 | deletion |
| - | Gly 2515 | deletion |
| - | Leu 2516 | deletion |
| - | Ser 2517 | deletion |
| - | Arg 2518 | deletion |
| - | Lys 2519 | deletion |
| - | Arg 2520 | deletion |
| - | Lys 2521 | deletion |
| - | Leu 2522 | deletion |
| Gly 2522 | Gln 2523 | conflict |
| Ser 2524 | - | insertion |
| Gly 2525 | Met 2525 | conflict |
| Gly 2526 | Phe 2526 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 6 |
| Total formula weight | 168458.6 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 2163.9 | |
| All* | Total formula weight | 170622.5 |
