Research workbench
Melanocarpus albomyces laccase crystal soaked (20 min) with 2,6- dimethoxyphenol
Analyse Melanocarpus albomyces laccase crystal soaked (20 min) with 2,6- dimethoxyphenol in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3FU9
- Type
- protein
- Length
- 1,118 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Laccase-1
- EC
- 1.10.3.2
- UniProt
- Q70KY3
- Ligands
- KIB, NAG, CU, CL, SO4
- Pockets
- 13 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 11% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Laccase-1 (EC 1.10.3.2) | protein | 559 | 11% helix, 38% strand | Q70KY3 |
Ligands and binding sites
- KIB · 2,6-dimethoxybenzene-1,4-diol · ligand · 2 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 15 copies · chains A, B
- CU · Copper (II) ion · metal · 8 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 513 | 0.86 | 0.92 | 61 | KIB |
| 2 | 105 | 0.78 | 0.98 | 23 | empty |
| 3 | 99 | 0.76 | 0.96 | 23 | empty |
| 4 | 741 | 0.67 | 0.75 | 86 | NAG |
| 5 | 85 | 0.57 | 0.87 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 705 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 11 glycan, 4 disulfide (N-glycosylation, disulfide).
Compared structures
- 3FU9 · Melanocarpus albomyces laccase crystal soaked (20 min) with 2,6-dimethoxyphenol · the same entry in another collection · chain A against A, TM-score 1.00
- Q70KY3 · AlphaFold monomer V2.0 prediction for laccase-1 (Q70KY3) · a predicted model of the same protein · 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 Q70KY3
- Elsewhere: RCSB PDB 3FU9 · PDBe 3FU9 · UniProt Q70KY3
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