Research workbench
Unspecific peroxygenase from Hypoxylon sp. EC38 in complex with S-1,2-propanediol
Analyse Unspecific peroxygenase from Hypoxylon sp. EC38 in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7O1Z
- Type
- protein
- Length
- 225 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.8
- Source
- Hypoxylon sp. EC38
- Molecule
- Peroxygenase
- EC
- 1.11.2.1
- UniProt
- A0A1Y2TH07
- Ligands
- HEM, BCN, NAG, MG
- Pockets
- 1 · best druggability 0.84
Structure
x-ray diffraction · resolution 1.8 · 1 distinct chain · 48% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxygenase (EC 1.11.2.1) | protein | 225 | 48% helix, 6% strand | A0A1Y2TH07 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- BCN · Bicine · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
- MG · Magnesium ion · metal · chains A
- 1BO · 1-butanol · additive · 2 copies · chains A
- PGO · S-1,2-propanediol · additive · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 482 | 0.84 | 0.90 | 50 | HEM, PGO, 1BO |
Modifications
Observed in the structure: 2 glycan (N-glycosylation).
Compared structures
- 7O1Z · Unspecific peroxygenase from hypoxylon sp. EC38 in complex with S-1,2- propanediol · 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 A0A1Y2TH07
- Elsewhere: RCSB PDB 7O1Z · PDBe 7O1Z · UniProt A0A1Y2TH07
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