MolNFT v1 · #77928 · protein
Structure of bace-1 (beta-secretase) in complex with 6-(2-(3,3- dimethylbut-1-YNYL)PHENYL)QUINOLIN-2-amine
3RTH · Beta-secretase 1: “Structure of bace-1 (beta-secretase) in complex with 6-(2-(3,3- dimethylbut-1-YNYL)PHENYL)QUINOLIN-2-amine”. X-ray diffraction, 2 ligands (RTH, IOD), 1 pocket (best druggability 0.72). MolNFT v1 #77928 on…
- PDB
- 3RTH
- Type
- protein
- Length
- 371 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-secretase 1
- EC
- 3.4.23.46
- UniProt
- P56817
- Ligands
- RTH, IOD
- Pockets
- 1 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 14% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-secretase 1 (EC 3.4.23.46) | protein | 371 | 14% helix, 40% strand | P56817 |
Ligands and binding sites
- RTH · 6-[2-(3,3-dimethylbut-1-yn-1-yl)phenyl]quinolin-2-amine · ligand · chains A
- IOD · Iodide ion · ion · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 607 | 0.72 | 0.79 | 63 | RTH |
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
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 P56817
- Elsewhere: RCSB PDB 3RTH · PDBe 3RTH · UniProt P56817
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.