MolNFT v1 · #134957 · protein
Neurospora crassa polysaccharide monooxygenase 2 resting state
5TKG · Lytic polysaccharide monooxygenase: “Neurospora crassa polysaccharide monooxygenase 2 resting state”. X-ray diffraction, 4 ligands (NAG, MAN, CU), 2 pockets (best druggability 0.51). MolNFT v1 #134957 on GenesisL1: 3D structure…
- PDB
- 5TKG
- Type
- protein
- Length
- 446 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lytic polysaccharide monooxygenase
- UniProt
- Q8WZQ2
- Ligands
- NAG, MAN, CU, OXY
- Pockets
- 2 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain · 6% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Lytic polysaccharide monooxygenase | protein | 223 | 6% helix, 34% strand | Q8WZQ2 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B
- MAN · alpha-D-mannopyranose · sugar
- CU · Copper (II) ion · metal · 2 copies · chains A, B
- OXY · Oxygen molecule · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 131 | 0.51 | 0.81 | 21 | OXY |
| 2 | 115 | 0.48 | 0.80 | 23 | OXY |
Interfaces
1 interface between chains.
- A–B · 905 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 5TKG · Neurospora crassa polysaccharide monooxygenase 2 resting state · 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 Q8WZQ2
- Elsewhere: RCSB PDB 5TKG · PDBe 5TKG · UniProt Q8WZQ2
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