MolNFT v1 · #107196 · protein
Cholesterol oxidase in the reduced state complexed with isopropanol
4U2S: “Cholesterol oxidase in the reduced state complexed with isopropanol”. X-ray diffraction, 2 ligands (FDA, SO4), 4 pockets (best druggability 0.86). MolNFT v1 #107196 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4U2S
- Type
- protein
- Length
- 498 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cholesterol oxidase
- EC
- 1.1.3.6, 5.3.3.1
- UniProt
- P12676
- Ligands
- FDA, SO4
- Pockets
- 4 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cholesterol oxidase (EC 1.1.3.6, 5.3.3.1) | protein | 498 | 29% helix, 24% strand | P12676 |
Ligands and binding sites
- FDA · Dihydroflavine-adenine dinucleotide · ligand · chains A
- SO4 · Sulfate ion · ion · 4 copies · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 680 | 0.86 | 0.90 | 85 | FDA |
| 2 | 50 | 0.57 | 0.91 | 17 | empty |
| 3 | 123 | 0.43 | 0.77 | 20 | empty |
| 4 | 89 | 0.33 | 0.73 | 24 | empty |
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 P12676
- Elsewhere: RCSB PDB 4U2S · PDBe 4U2S · UniProt P12676
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