MolNFT v1 · #91488 · protein
Structure of OSH4 in complex with cholesterol analogs
4FES · Protein KES1: “Structure of OSH4 in complex with cholesterol analogs”. X-ray diffraction, 1 ligand (0T9), 11 pockets (best druggability 0.84). MolNFT v1 #91488 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4FES
- Type
- protein
- Length
- 856 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein KES1
- UniProt
- P35844
- Ligands
- 0T9
- Pockets
- 11 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein KES1 | protein | 431 | 32% helix, 28% strand | P35844 |
| B | Protein KES1 | protein | 425 | 33% helix, 29% strand | P35844 |
Ligands and binding sites
- 0T9 · (3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2S,6S)-6-methyl-3-oxooctan-2-yl]-1,2,3,4,7,8,9,10,11,12,13,14,15,17-tetradecahydro-16H-cyclopenta[a]phenanthren-16-one · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 688 | 0.84 | 0.87 | 73 | 0T9 |
| 2 | 727 | 0.83 | 0.87 | 79 | 0T9 |
| 3 | 597 | 0.74 | 0.81 | 55 | empty |
| 4 | 725 | 0.71 | 0.78 | 88 | empty |
| 5 | 755 | 0.70 | 0.77 | 66 | empty |
Interfaces
1 interface between chains.
- A–B · 825 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4FES · Structure of OSH4 in complex with cholesterol analogs · the same entry in another collection · chain A against A, TM-score 1.00
- P35844 · AlphaFold monomer V2.0 prediction for oxysterol-binding protein homolog 4 (P35844) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 P35844
- Elsewhere: RCSB PDB 4FES · PDBe 4FES · UniProt P35844
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.