2.2A resolution structure of a firefly luciferase-benzothiazole inhibitor complex. Determined by X-ray diffraction at 2.2 Å resolution. Released 5 Sept 2012.
Explore 4E5D in 3D Show helices and sheets RCSB PDB PDBe
4E5D contains 21 α-helices and 28 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 | 4-6 | 3 | |
| β-strand | 8-9 | 2 | 1 |
| α-helix | 16-19 | 4 | |
| α-helix | 22-34 | 13 | |
| β-strand | 40-44 | 5 | 2 |
| β-strand | 50-52 | 3 | 2 |
| α-helix | 53-70 | 18 | |
| β-strand | 77-81 | 5 | 3 |
| α-helix | 89-97 | 9 | |
| α-helix | 100 | 1 | |
| β-strand | 101-104 | 4 | 3 |
| α-helix | 111-121 | 11 | |
| β-strand | 125-128 | 4 | 3 |
| α-helix | 130-132 | 3 | |
| α-helix | 133-140 | 8 | |
| β-strand | 148-151 | 4 | 3 |
| β-strand | 158 | 1 | 4 |
| β-strand | 161 | 1 | 4 |
| β-strand | 163 | 1 | 3 |
| α-helix | 164-171 | 8 | |
| α-helix | 172-173 | 2 | |
| α-helix | 183-185 | 3 | |
| β-strand | 192-197 | 6 | 3 |
| β-strand | 207-211 | 5 | 3 |
| α-helix | 212-222 | 11 | |
| β-strand | 236-239 | 4 | 2 |
| α-helix | 246-258 | 13 | |
| β-strand | 261-264 | 4 | 2 |
| α-helix | 270-279 | 10 | |
| β-strand | 284-287 | 4 | 2 |
| α-helix | 289-297 | 9 | |
| α-helix | 300-303 | 4 | |
| β-strand | 311-314 | 4 | 2 |
| α-helix | 321-330 | 10 | |
| β-strand | 337-338 | 2 | 2 |
| β-strand | 339-341 | 3 | 5 |
| α-helix | 343-345 | 3 | |
| β-strand | 348-351 | 4 | 5 |
| β-strand | 363 | 1 | 1 |
| β-strand | 364-365 | 2 | 5 |
| α-helix | 366 | 1 | |
| β-strand | 370-374 | 5 | 1 |
| β-strand | 381 | 1 | 1 |
| β-strand | 388-393 | 6 | 1 |
| β-strand | 400-401 | 2 | 3 |
| α-helix | 405-411 | 7 | |
| β-strand | 412 | 1 | 1 |
| β-strand | 418-426 | 9 | 1 |
| β-strand | 432-434 | 3 | 1 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Luciferin 4-monooxygenase | A | protein | 550 | Photinus pyralis | P08659 (AlphaFold model) |
>4E5D_1 Luciferin 4-monooxygenase (chains A) MEDAKNIKKGPAPFYPLEDGTAGEQLHKAMKRYALVPGTIAFTDAHIEVNITYAEYFEMS VRLAEAMKRYGLNTNHRIVVCSENSLQFFMPVLGALFIGVAVAPANDIYNERELLNSMNI SQPTVVFVSKKGLQKILNVQKKLPIIQKIIIMDSKTDYQGFQSMYTFVTSHLPPGFNEYD FVPESFDRDKTIALIMNSSGSTGLPKGVALPHRTACVRFSHARDPIFGNQIIPDTAILSV VPFHHGFGMFTTLGYLICGFRVVLMYRFEEELFLRSLQDYKIQSALLVPTLFSFFAKSTL IDKYDLSNLHEIASGGAPLSKEVGEAVAKRFHLPGIRQGYGLTETTSAILITPEGDDKPG AVGKVVPFFEAKVVDLDTGKTLGVNQRGELCVRGPMIMSGYVNNPEATNALIDKDGWLHS GDIAYWDEDEHFFIVDRLKSLIKYKGYQVAPAELESILLQHPNIFDAGVAGLPDDDAGEL PAAVVVLEHGKTMTEKEIVDYVASQVTTAKKLRGGVVFVDEVPKGLTGKLDARKIREILI KAKKGGKSKL
| ID | Name | Formula | Copies |
|---|---|---|---|
| 0NJ | 2-(2-fluorophenyl)-6-methoxy-1,3-benzothiazole | C14 H10 F N O S | 1 |
Firefly luciferase in chemical biology: a compendium of inhibitors, mechanistic evaluation of chemotypes, and suggested use as a reporter. Thorne, N., Shen, M., Lea, W.A. et al. Chem Biol (2012) 19:1060-1072. DOI 10.1016/j.chembiol.2012.07.015 · PubMed
Other PDB entries of the same protein (UniProt P08659 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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