MolNFT v1 · #83303 · protein
The complex structure of E113A with cellotetraose
3WDY · Beta-1,3-1,4-glucanase: “The complex structure of E113A with cellotetraose”. X-ray diffraction, 2 ligands (BGC, SO4), 7 pockets (best druggability 0.81). MolNFT v1 #83303 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3WDY
- Type
- protein
- Length
- 1,181 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-1,3-1,4-glucanase
- EC
- 3.2.1.73
- UniProt
- E0XN39
- Ligands
- BGC, SO4
- Pockets
- 7 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 14% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D | Beta-1,3-1,4-glucanase (EC 3.2.1.73) | protein | 296 | 14% helix, 38% strand | E0XN39 |
| C | Beta-1,3-1,4-glucanase (EC 3.2.1.73) | protein | 293 | 14% helix, 39% strand | E0XN39 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 11 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1066 | 0.81 | 0.82 | 100 | BGC |
| 2 | 569 | 0.70 | 0.79 | 42 | empty |
| 3 | 217 | 0.63 | 0.82 | 32 | BGC |
| 4 | 247 | 0.61 | 0.81 | 37 | BGC, SO4 |
| 5 | 247 | 0.54 | 0.77 | 43 | empty |
Interfaces
4 interfaces between chains.
- A–B · 587 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 556 Ų buried · 9 hydrogen bonds · protein-protein
- C–D · 418 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 322 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide (disulfide).
Compared structures
- 3WDY · The complex structure of E113A with cellotetraose · 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 E0XN39
- Elsewhere: RCSB PDB 3WDY · PDBe 3WDY · UniProt E0XN39
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.