MolNFT v1 · #102039 · protein
Human smoothened receptor structure in complex with cyclopamine
4O9R · Smoothened HOMOLOG/SOLUBLE cytochrome B562 chimeric protein: “Human smoothened receptor structure in complex with cyclopamine”. X-ray diffraction, 1 ligand (CY8), 4 pockets (best druggability 0.86). MolNFT v1 #102039 on GenesisL1…
- PDB
- 4O9R
- Type
- protein
- Length
- 441 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Smoothened HOMOLOG/SOLUBLE cytochrome B562 chimeric protein
- UniProt
- Q99835, P0ABE7
- Ligands
- CY8
- Pockets
- 4 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 69% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Smoothened HOMOLOG/SOLUBLE cytochrome B562 chimeric protein | protein | 441 | 69% helix, 4% strand | Q99835, P0ABE7 |
Ligands and binding sites
- CY8 · Cyclopamine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 614 | 0.86 | 0.90 | 70 | CY8 |
| 2 | 146 | 0.47 | 0.77 | 20 | empty |
| 3 | 73 | 0.34 | 0.75 | 18 | empty |
| 4 | 52 | 0.27 | 0.74 | 15 | empty |
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 4O9R · Human Smoothened Receptor structure in complex with cyclopamine · the same entry in another collection · chain A against A, TM-score 1.00
- Q99835 · AlphaFold monomer V2.0 prediction for smoothened homolog (Q99835) · a predicted model of the same protein · chain A against A, TM-score 0.75
- P0ABE7 · AlphaFold monomer V2.0 prediction for soluble cytochrome B562 (P0ABE7) · a predicted model of the same protein · chain A against A, TM-score 0.27
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 Q99835
- Every structure of UniProt P0ABE7
- Elsewhere: RCSB PDB 4O9R · PDBe 4O9R · UniProt Q99835 · UniProt P0ABE7
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