Research workbench
Crystal structure of human placental aromatase complexed with breast cancer drug exemestane
Analyse Crystal structure of human placental aromatase complexed with breast cancer… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3S7S
- Type
- protein
- Length
- 452 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450 19A1
- EC
- 1.14.14.1
- UniProt
- P11511
- Ligands
- HEM, EXM
- Pockets
- 6 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 19A1 (EC 1.14.14.1) | protein | 452 | 52% helix, 10% strand | P11511 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- EXM · (8alpha,10alpha,13alpha)-6-methylideneandrosta-1,4-diene-3,17-dione · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 525 | 0.86 | 0.92 | 54 | HEM, EXM |
| 2 | 61 | 0.50 | 0.86 | 19 | empty |
| 3 | 158 | 0.45 | 0.75 | 23 | empty |
| 4 | 86 | 0.40 | 0.78 | 14 | empty |
| 5 | 69 | 0.38 | 0.79 | 23 | empty |
Compared structures
- 3S7S · Crystal structure of human placental aromatase complexed with breast cancer drug… · the same entry in another collection · chain A against A, TM-score 1.00
- P11511 · AlphaFold monomer V2.0 prediction for aromatase (P11511) · a predicted model of the same protein · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P11511
- Elsewhere: RCSB PDB 3S7S · PDBe 3S7S · UniProt P11511
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