8GD7

Loop Deleted DNA Polymerase Theta Polymerase Domain in Complex with Double Strand DNA Overhang and Inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	DNA polymerase theta	polymer	652	72589.8	1	UniProt (O75417) Pfam (PF00476) In PDB	Homo sapiens (human)	DNA polymerase eta
2	E	DNA Template	polymer	24	7372.7	1		synthetic construct
3	F	DNA Primer	polymer	14	4266.8	1		synthetic construct
4	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
5	A	2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE	non-polymer		491.2	1	Chemie (DG3)
6	A	2-(3-methyl-2-oxoimidazolidin-1-yl)-4,6-bis(trifluoromethyl)phenyl (4-fluorophenyl)methylcarbamate	non-polymer		479.3	1	Chemie (Z5X)

Sequence modifications

A: 1819 - 2590 (UniProt: O75417)

PDB	External Database	Details
-	Ser 1861	deletion
-	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
Gly 1893	Lys 1893	conflict
Ser 1894	Gly 1894	conflict
Gly 1895	Cys 1895	conflict
-	Gln 1918	deletion
-	Lys 1919	deletion
-	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
Gly 1930	Leu 1930	conflict
Gly 1931	Val 1931	conflict
Ser 1932	Pro 1932	conflict
Gly 1933	Pro 1933	conflict
Gly 1934	Ser 1934	conflict
-	Asn 2146	deletion
-	Arg 2147	deletion
-	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
Gly 2171	Leu 2171	conflict
Gly 2172	Arg 2172	conflict
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 2303	Ala 2303	conflict
Gly 2304	Ala 2304	conflict
Ser 2305	Asp 2305	conflict
Gly 2306	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
Gly 2522	Leu 2522	conflict
Gly 2523	Gln 2523	conflict
Ser 2524	Gly 2524	conflict
Gly 2525	Met 2525	conflict
Gly 2526	Phe 2526	conflict

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	84229.3
Non-Polymers*	Number of molecules	3
	Total formula weight	994.8
All*	Total formula weight	85224.1

*Water molecules are not included.