Research workbench
Neurospora crassa polysaccharide monooxygenase 2 ascorbate treated
Analyse Neurospora crassa polysaccharide monooxygenase 2 ascorbate treated in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5TKH
- Type
- protein
- Length
- 446 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lytic polysaccharide monooxygenase
- UniProt
- Q8WZQ2
- Ligands
- NAG, CU, PER, OXY
- Pockets
- 2 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain · 6% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Lytic polysaccharide monooxygenase | protein | 223 | 6% helix, 35% strand | Q8WZQ2 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B
- CU · Copper (II) ion · metal · 2 copies · chains A, B
- PER · Peroxide ion · ion · chains A, B
- OXY · Oxygen molecule · ion · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 121 | 0.51 | 0.81 | 19 | OXY |
| 2 | 129 | 0.50 | 0.80 | 18 | PER |
Interfaces
1 interface between chains.
- A–B · 875 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 5TKH · Neurospora crassa polysaccharide monooxygenase 2 ascorbate treated · 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 Q8WZQ2
- Elsewhere: RCSB PDB 5TKH · PDBe 5TKH · UniProt Q8WZQ2
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