MolNFT v1 · #183764 · protein
Unspecific peroxygenase from hypoxylon sp. EC38 in complex with 2-(N- morpholino) ethanesulfonic acid (mes)
7O2D: “Unspecific peroxygenase from hypoxylon sp. EC38 in complex with 2-(N- morpholino) ethanesulfonic acid (mes)”. X-ray diffraction, 3 ligands (HEM, NAG, MG), 1 pocket (best druggability 0.84). MolNFT v1 #183764 on GenesisL1: 3D…
- PDB
- 7O2D
- Type
- protein
- Length
- 228 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxygenase
- EC
- 1.11.2.1
- UniProt
- A0A1Y2TH07
- Ligands
- HEM, NAG, MG
- Pockets
- 1 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxygenase (EC 1.11.2.1) | protein | 228 | 47% helix, 7% strand | A0A1Y2TH07 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
- MG · Magnesium ion · metal · chains A
- MES · 2-(N-morpholino)-ethanesulfonic acid · 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 | 494 | 0.84 | 0.90 | 51 | MES, HEM |
Modifications
Observed in the structure: 2 glycan (N-glycosylation).
Compared structures
- 7O2D · Unspecific peroxygenase from Hypoxylon sp. EC38 in complex with 2-(N-morpholino)… · 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 7O2D · PDBe 7O2D · UniProt A0A1Y2TH07
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