Research workbench
Crystal structure of stachydrine demethylase in complex with azide
Analyse Crystal structure of stachydrine demethylase in complex with azide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4QUQ
- Type
- protein
- Length
- 401 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Monoxygenase
- EC
- 1.-.-.-
- UniProt
- Q92ZP9
- Ligands
- FES, NCO, FE, AZI
- Pockets
- 4 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Monoxygenase (EC 1.-.-.-) | protein | 401 | 32% helix, 25% strand | Q92ZP9 |
Ligands and binding sites
- FES · Fe2/s2 (inorganic) cluster · ligand · chains A
- NCO · Cobalt hexammine(iii) · ligand · chains A
- FE · Fe (III) ion · metal · chains A
- AZI · Azide ion · ion · chains A
- GOL · Glycerol · additive · 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 | 284 | 0.63 | 0.80 | 33 | AZI |
| 2 | 132 | 0.47 | 0.78 | 36 | empty |
| 3 | 127 | 0.44 | 0.77 | 19 | empty |
| 4 | 69 | 0.33 | 0.76 | 20 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 4QUQ · Crystal structure of stachydrine demethylase in complex with azide · the same entry in another collection · 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 Q92ZP9
- Elsewhere: RCSB PDB 4QUQ · PDBe 4QUQ · UniProt Q92ZP9
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.