Research workbench
The complex structure of PTLIC16A with cellotetraose
Analyse The complex structure of PTLIC16A with cellotetraose in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3WDV
- Type
- protein
- Length
- 1,191 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
- 8 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 15% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D | Beta-1,3-1,4-glucanase (EC 3.2.1.73) | protein | 298 | 15% helix, 37% strand | E0XN39 |
| B | Beta-1,3-1,4-glucanase (EC 3.2.1.73) | protein | 297 | 14% helix, 38% strand | E0XN39 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 10 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · chains D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 993 | 0.78 | 0.80 | 95 | BGC |
| 2 | 713 | 0.74 | 0.79 | 68 | BGC |
| 3 | 280 | 0.57 | 0.77 | 31 | BGC |
| 4 | 224 | 0.50 | 0.76 | 33 | empty |
| 5 | 73 | 0.38 | 0.78 | 20 | empty |
Interfaces
4 interfaces between chains.
- A–B · 489 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 432 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 242 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 218 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 16 disulfide (disulfide).
Compared structures
- 3WDV · The complex structure of PtLic16A 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 3WDV · PDBe 3WDV · UniProt E0XN39
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