MolNFT v1 · #58442 · protein
Crystal structure of streptomyces cholesterol oxidase H447Q/E361Q mutant bound to glycerol (0.98A)
3B3R: “Crystal structure of streptomyces cholesterol oxidase H447Q/E361Q mutant bound to glycerol (0.98A)”. X-ray diffraction, 2 ligands (FAE, SO4), 2 pockets (best druggability 0.86). MolNFT v1 #58442 on GenesisL1: 3D structure, binding…
- PDB
- 3B3R
- Type
- protein
- Length
- 503 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cholesterol oxidase
- EC
- 1.1.3.6
- UniProt
- P12676
- Ligands
- FAE, SO4
- Pockets
- 2 · 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) | protein | 503 | 29% helix, 24% strand | P12676 |
Ligands and binding sites
- FAE · Flavin-N7 protonated-adenine dinucleotide · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- GOL · Glycerol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 933 | 0.86 | 0.87 | 112 | FAE, GOL |
| 2 | 84 | 0.32 | 0.73 | 23 | empty |
Compared structures
- 3B3R · Crystal structure of Streptomyces cholesterol oxidase H447Q/E361Q mutant bound to… · the same entry in another collection · chain A against A, TM-score 1.00
- P12676 · AlphaFold monomer V2.0 prediction for cholesterol oxidase (P12676) · a predicted model of the same protein · chain A against A, TM-score 1.00
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 3B3R · PDBe 3B3R · UniProt P12676
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.