MolNFT v1 · #90419 · protein
Structural basis for substrate targeting and catalysis by fungal polysaccharide monooxygenases (pmo-3)
4EIS · Polysaccharide monooxygenase-3: “Structural basis for substrate targeting and catalysis by fungal polysaccharide monooxygenases (pmo-3)”. X-ray diffraction, 3 ligands (NAG, CU, PER), 3 pockets (best druggability 0.56). MolNFT v1…
- PDB
- 4EIS
- Type
- protein
- Length
- 450 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polysaccharide monooxygenase-3
- UniProt
- Q7SA19
- Ligands
- NAG, CU, PER
- Pockets
- 3 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polysaccharide monooxygenase-3 | protein | 225 | 6% helix, 31% strand | Q7SA19 |
| B | Polysaccharide monooxygenase-3 | protein | 225 | 5% helix, 31% strand | Q7SA19 |
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
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 248 | 0.56 | 0.77 | 36 | empty |
| 2 | 61 | 0.31 | 0.75 | 14 | empty |
| 3 | 58 | 0.29 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 439 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 3 modified, 1 glycan (disulfide, methylation, N-glycosylation, nonstandard).
Compared structures
- 4EIS · Structural basis for substrate targeting and catalysis by fungal polysaccharide… · 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 Q7SA19
- Elsewhere: RCSB PDB 4EIS · PDBe 4EIS · UniProt Q7SA19
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