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Crystal structure of catechol oxidase from aspergillus oryzae, soaked in 4-tert-butylcatechol
Analyse Crystal structure of catechol oxidase from aspergillus oryzae, soaked in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4J3R
- Type
- protein
- Length
- 372 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Catechol oxidase
- EC
- 1.10.3.1
- UniProt
- Q2UNF9
- Ligands
- NAG, BMA, MAN, CU, OXY, SO4
- Pockets
- 1 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Catechol oxidase (EC 1.10.3.1) | protein | 372 | 39% helix, 12% strand | Q2UNF9 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains A
- BMA · beta-D-mannopyranose · sugar
- MAN · alpha-D-mannopyranose · sugar · chains A
- CU · Copper (II) ion · metal · 2 copies · chains A
- OXY · Oxygen molecule · ion · chains A
- SO4 · Sulfate ion · ion · 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 | 259 | 0.74 | 0.88 | 38 | OXY |
Modifications
Observed in the structure: 5 glycan, 3 disulfide (N-glycosylation, disulfide, O-glycosylation).
Compared structures
- 4J3R · Crystal structure of catechol oxidase from Aspergillus oryzae, soaked in… · 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 Q2UNF9
- Elsewhere: RCSB PDB 4J3R · PDBe 4J3R · UniProt Q2UNF9
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