7ZX1
Crystal structure of Pol theta polymerase domain in complex with compound 22
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 | AAA, BBB, CCC, DDD, EEE... | DNA polymerase theta | polymer | 726 | 81771.7 | 6 | UniProt (O75417) Pfam (PF00476) In PDB | Homo sapiens (human) | DNA polymerase eta |
| 2 | GGG, III, KKK, MMM, OOO... | DNA (5'-D(P*TP*TP*CP*CP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*C)-3') | polymer | 16 | 4843.2 | 6 | synthetic construct | ||
| 3 | HHH, JJJ, LLL, NNN, PPP... | DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*(DDG))-3') | polymer | 13 | 3982.6 | 6 | synthetic construct | ||
| 4 | DDD, EEE, FFF, AAA, BBB... | MAGNESIUM ION | non-polymer | 24.3 | 6 | Chemie (MG) | |||
| 5 | DDD, EEE, FFF, KKK, AAA... | 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE | non-polymer | 491.2 | 6 | Chemie (DG3) | |||
| 6 | DDD, AAA, BBB, CCC | (2~{S},3~{R})-1-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]-~{N}-methyl-~{N}-(3-methylphenyl)-3-oxidanyl-pyrrolidine-2-carboxamide | non-polymer | 418.4 | 4 | Chemie (K8I) | |||
| 7 | water | water | 18.0 | 1 | Chemie (HOH) |
Sequence modifications
AAA, BBB, CCC, DDD, EEE, FFF: 1820 - 2590 (UniProt: O75417)
| PDB | External Database | Details |
|---|---|---|
| Gly 2261 | Pro 2261 | engineered mutation |
| - | 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 |
| - | Ala 2303 | deletion |
| - | Ala 2304 | deletion |
| - | Asp 2305 | deletion |
| - | Arg 2306 | deletion |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 18 |
| Total formula weight | 543584.8 | |
| Non-Polymers* | Number of molecules | 16 |
| Total formula weight | 4766.6 | |
| All* | Total formula weight | 548351.4 |
