Structure of human placental aromatase complexed with designed inhibitor HDDG029 (compound 4). Determined by X-ray diffraction at 3.48 Å resolution. Released 12 Sept 2012.
Explore 4GL5 in 3D Show helices and sheets RCSB PDB PDBe
4GL5 contains 24 α-helices and 12 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 | 57-68 | 12 | |
| α-helix | 70-80 | 11 | |
| β-strand | 84-88 | 5 | 1 |
| β-strand | 93-97 | 5 | 1 |
| α-helix | 100-108 | 9 | |
| α-helix | 110-112 | 3 | |
| α-helix | 119-125 | 7 | |
| α-helix | 138-142 | 5 | |
| α-helix | 145-151 | 7 | |
| α-helix | 155-172 | 18 | |
| α-helix | 175-177 | 3 | |
| β-strand | 179 | 1 | 2 |
| β-strand | 184-185 | 2 | 2 |
| α-helix | 187-199 | 13 | |
| α-helix | 200-204 | 5 | |
| α-helix | 210-227 | 18 | |
| α-helix | 233-236 | 4 | |
| α-helix | 238-240 | 3 | |
| α-helix | 242-267 | 26 | |
| α-helix | 272-274 | 3 | |
| α-helix | 278-286 | 9 | |
| α-helix | 293-322 | 30 | |
| α-helix | 326-339 | 14 | |
| α-helix | 347-349 | 3 | |
| α-helix | 354-366 | 13 | |
| β-strand | 373-376 | 4 | 1 |
| β-strand | 381-383 | 3 | 3 |
| β-strand | 386-388 | 3 | 3 |
| β-strand | 393-396 | 4 | 1 |
| α-helix | 398-404 | 7 | |
| α-helix | 433-435 | 3 | |
| α-helix | 440-455 | 16 | |
| β-strand | 458-462 | 5 | 2 |
| β-strand | 473-474 | 2 | 4 |
| β-strand | 480-481 | 2 | 4 |
| β-strand | 490-494 | 5 | 2 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Cytochrome P450 19A1 | A | protein | 503 | Homo sapiens | P11511 (AlphaFold model) |
>4GL5_1 Cytochrome P450 19A1 (chains A) MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLI SHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKL GLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTN ESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWL YKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCI LEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFI YESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAK NVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLH PDETKNMLEMIFTPRNSDRCLEH
| ID | Name | Formula | Copies |
|---|---|---|---|
| G29 | (6alpha,8alpha)-6-(but-2-yn-1-yloxy)androsta-1,4-diene-3,17-dione | C23 H28 O3 | 1 |
| HEM | Protoporphyrin IX containing FE | C34 H32 Fe N4 O4 | 1 |
Novel aromatase inhibitors by structure-guided design. Ghosh, D., Lo, J., Morton, D. et al. J Med Chem (2012) 55:8464-8476. DOI 10.1021/jm300930n · PubMed
Other PDB entries of the same protein (UniProt P11511 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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