MolNFT v1 · #158949 · protein
Structural insights on a new fungal aryl-alcohol oxidase
6O9N: “Structural insights on a new fungal aryl-alcohol oxidase”. X-ray diffraction, 5 ligands (FAD, NAG, BMA), 5 pockets (best druggability 0.80). MolNFT v1 #158949 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6O9N
- Type
- protein
- Length
- 1,226 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aryl-alcohol oxidase
- EC
- 1.1.3.7
- UniProt
- G2PZJ2
- Ligands
- FAD, NAG, BMA, CA, SO4
- Pockets
- 5 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Aryl-alcohol oxidase (EC 1.1.3.7) | protein | 613 | 34% helix, 19% strand | G2PZJ2 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 11 copies · chains A, B
- BMA · beta-D-mannopyranose · sugar
- CA · Calcium ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · chains A, B
- B3P · 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · chains A
- 144 · Tris-hydroxymethyl-methyl-ammonium · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 890 | 0.80 | 0.83 | 84 | FAD |
| 2 | 899 | 0.80 | 0.82 | 80 | FAD |
| 3 | 933 | 0.74 | 0.78 | 80 | SO4 |
| 4 | 69 | 0.57 | 0.89 | 29 | empty |
| 5 | 71 | 0.56 | 0.88 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 318 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 glycan, 4 disulfide (N-glycosylation, disulfide).
Compared structures
- 6O9N · Structural insights on a new fungal aryl-alcohol oxidase · 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 G2PZJ2
- Elsewhere: RCSB PDB 6O9N · PDBe 6O9N · UniProt G2PZJ2
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