MolNFT v1 · #123472 · protein
Human placental aromatase cytochrome P450 (CYP19A1) at 2.75 ångström with bound polyethylene glycol
5JKV: “Human placental aromatase cytochrome P450 (CYP19A1) at 2.75 ångström with bound polyethylene glycol”. X-ray diffraction, 3 ligands (HEM, ASD, PO4), 6 pockets (best druggability 0.87). MolNFT v1 #123472 on GenesisL1: 3D structure…
- PDB
- 5JKV
- Type
- protein
- Length
- 452 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aromatase
- EC
- 1.14.14.14
- UniProt
- P11511
- Ligands
- HEM, ASD, PO4
- Pockets
- 6 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aromatase (EC 1.14.14.14) | protein | 452 | 53% helix, 9% strand | P11511 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- ASD · 4-androstene-3-17-dione · ligand · chains A
- PO4 · Phosphate ion · ion · 4 copies · chains A
- 1PE · Pentaethylene glycol · additive · 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 | 517 | 0.87 | 0.93 | 55 | HEM, ASD |
| 2 | 78 | 0.50 | 0.83 | 18 | empty |
| 3 | 178 | 0.47 | 0.75 | 24 | empty |
| 4 | 107 | 0.42 | 0.77 | 15 | empty |
| 5 | 83 | 0.40 | 0.78 | 25 | empty |
Compared structures
- 5JKV · Human placental aromatase cytochrome P450 (CYP19A1) at 2.75 ångström with bound… · 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 5JKV · PDBe 5JKV · UniProt P11511
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