MolNFT v1 · #107190 · protein
Dithionite reduced cholesterol in complex with sulfite
4U2L · Cholesterol oxidase: “Dithionite reduced cholesterol in complex with sulfite”. X-ray diffraction, 2 ligands (SFD, SO4), 5 pockets (best druggability 0.87). MolNFT v1 #107190 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4U2L
- 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
- SFD, SO4
- Pockets
- 5 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 23% 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, 23% strand | P12676 |
Ligands and binding sites
- SFD · (S)-10-((2S,3S,4R)-5-((S)-((S)-(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryloxy)(hydroxy)phosphoryloxy)-2,3,4-trihydroxypentyl)-7,8-dimethyl-2,4-dioxo-2,3,4,4A-tetrahydrobenzo[g]pteridine-5(10H)-sulfonic acid · ligand · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 718 | 0.87 | 0.90 | 89 | SFD |
| 2 | 50 | 0.59 | 0.92 | 16 | empty |
| 3 | 135 | 0.42 | 0.76 | 22 | empty |
| 4 | 51 | 0.33 | 0.77 | 17 | empty |
| 5 | 81 | 0.32 | 0.74 | 23 | 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 4U2L · PDBe 4U2L · UniProt P12676
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.