Murine Inducible Nitric Oxide Synthase Oxygenase Domain (Delta 114) 4-(Benzo[1,3]dioxol-5-yloxy)-2-(4-imidazol-1-yl-phenoxy)-pyrimidine Complex. Determined by X-ray diffraction at 2.0 Å resolution. Released 17 Apr 2007.
Explore 2ORR in 3D Show helices and sheets RCSB PDB PDBe
2ORR contains 19 α-helices and 21 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.
| Element | Residues | Length | Sheet |
|---|---|---|---|
| α-helix | 116-118 | 3 | |
| β-strand | 120 | 1 | 1 |
| α-helix | 127-129 | 3 | |
| α-helix | 130-146 | 17 | |
| α-helix | 153-170 | 18 | |
| α-helix | 177-189 | 13 | |
| α-helix | 195-199 | 5 | |
| β-strand | 204-207 | 4 | 2 |
| α-helix | 214-229 | 16 | |
| α-helix | 230-232 | 3 | |
| β-strand | 237-240 | 4 | 2 |
| α-helix | 242-244 | 3 | |
| β-strand | 252-253 | 2 | 3 |
| β-strand | 257 | 1 | 2 |
| β-strand | 261 | 1 | 4 |
| β-strand | 263 | 1 | 5 |
| β-strand | 273 | 1 | 5 |
| α-helix | 275-277 | 3 | |
| α-helix | 278-286 | 9 | |
| α-helix | 297 | 1 | |
| β-strand | 298 | 1 | 4 |
| α-helix | 299-300 | 2 | |
| β-strand | 301-304 | 4 | 3 |
| α-helix | 308-310 | 3 | |
| β-strand | 311-313 | 3 | 3 |
| α-helix | 314-316 | 3 | |
| α-helix | 317-319 | 3 | |
| β-strand | 322-324 | 3 | 6 |
| β-strand | 339-341 | 3 | 6 |
| β-strand | 345-346 | 2 | 2 |
| β-strand | 350-353 | 4 | 7 |
| β-strand | 356-358 | 3 | 7 |
| β-strand | 363-364 | 2 | 2 |
| β-strand | 367 | 1 | 8 |
| α-helix | 415-422 | 8 | |
| β-strand | 427 | 1 | 8 |
| α-helix | 430-442 | 13 | |
| β-strand | 482-484 | 3 | 7 |
| β-strand | 485 | 1 | 1 |
| α-helix | 489-491 | 3 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Nitric oxide synthase, inducible | A | protein | 389 | Mus musculus | P29477 (AlphaFold model) |
>2ORR_1 Nitric oxide synthase, inducible (chains A) MNPKSLTRGPRDKPTPLEELLPHAIEFINQYYGSFKEAKIEEHLARLEAVTKEIETTGTY QLTLDELIFATKMAWRNAPRCIGRIQWSNLQVFDARNCSTAQEMFQHICRHILYATNNGN IRSAITVFPQRSDGKHDFRLWNSQLIRYAGYQMPDGTIRGDAATLEFTQLCIDLGWKPRY GRFDVLPLVLQADGQDPEVFEIPPDLVLEVTMEHPKYEWFQELGLKWYALPAVANMLLEV GGLEFPACPFNGWYMGTEIGVRDFCDTQRYNILEEVGRRMGLETHTLASLWKDRAVTEIN VAVLHSFQKQNVTIMDHHTASESFMKHMQNEYRARGGCPADWIWLVPPVSGSITPVFHQE MLNYVLSPFYYYQIEPWKTHIWQNEHHHH
| ID | Name | Formula | Copies |
|---|---|---|---|
| HEM | Protoporphyrin IX containing FE | C34 H32 Fe N4 O4 | 1 |
| 333 | 4-(1,3-benzodioxol-5-yloxy)-2-[4-(1H-imidazol-1-yl)phenoxy]pyrimidine | C20 H14 N4 O4 | 1 |
Water and common crystallization additives (EDO) are not listed.
Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors. Davey, D.D., Adler, M., Arnaia, D. et al. J Med Chem (2007) 50:1146-1157. DOI 10.1021/jm061319i · PubMed
Other PDB entries of the same protein (UniProt P29477 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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