MolNFT v1 · #100682 · protein
Structure of the human smoothened receptor in complex with sant-1.
4N4W · Cytochrome B(562),SMOOTHENED homolog: “Structure of the human smoothened receptor in complex with sant-1.”. X-ray diffraction, 5 ligands (SNT, NAG, BMA), 6 pockets (best druggability 0.85). MolNFT v1 #100682 on GenesisL1: 3D…
- PDB
- 4N4W
- Type
- protein
- Length
- 457 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome B(562),SMOOTHENED homolog
- UniProt
- Q0SXH8, Q99835
- Ligands
- SNT, NAG, BMA, MAN, ZN
- Pockets
- 6 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 67% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome B(562),SMOOTHENED homolog | protein | 457 | 67% helix, 4% strand | Q0SXH8, Q99835 |
Ligands and binding sites
- SNT · (E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanimine · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
- BMA · beta-D-mannopyranose · sugar
- MAN · alpha-D-mannopyranose · sugar
- ZN · Zinc ion · metal · 2 copies · chains A
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 2 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
- PG4 · Tetraethylene 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 442 | 0.85 | 0.92 | 59 | SNT |
| 2 | 132 | 0.55 | 0.82 | 24 | empty |
| 3 | 234 | 0.55 | 0.77 | 30 | empty |
| 4 | 122 | 0.46 | 0.77 | 17 | empty |
| 5 | 171 | 0.42 | 0.73 | 28 | empty |
Modifications
Observed in the structure: 4 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 Q0SXH8
- Every structure of UniProt Q99835
- Elsewhere: RCSB PDB 4N4W · PDBe 4N4W · UniProt Q0SXH8 · UniProt Q99835
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.