MolNFT v1 · #117143 · protein
Crystal structure of the catalytic nucleophile mutant of VVEG16 in complex with a mixed-linkage glucan octasaccharide
5DZF · Endo-glucanase: “Crystal structure of the catalytic nucleophile mutant of VVEG16 in complex with a mixed-linkage glucan…”. X-ray diffraction, 3 ligands (BGC, GLC, SO4), 2 pockets (best druggability 0.45). MolNFT v1 #117143 on…
- PDB
- 5DZF
- Type
- protein
- Length
- 404 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endo-glucanase
- UniProt
- F6I323
- Ligands
- BGC, GLC, SO4
- Pockets
- 2 · best druggability 0.45
Structure
x-ray diffraction · 2 distinct chains · 5% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endo-glucanase | protein | 206 | 5% helix, 49% strand | F6I323 |
| B | Endo-glucanase | protein | 198 | 5% helix, 51% strand | F6I323 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 11 copies · chains A, B
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 3 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 126 | 0.45 | 0.77 | 22 | GLC, BGC |
| 2 | 131 | 0.45 | 0.77 | 22 | GLC, BGC |
Compared structures
- 5DZF · Crystal Structure of the catalytic nucleophile mutant of VvEG16 in complex with a… · 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 F6I323
- Elsewhere: RCSB PDB 5DZF · PDBe 5DZF · UniProt F6I323
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