Research workbench
Key residues affecting transglycosylation activity in family 18 chitinases - insights into donor and acceptor subsites
Analyse Key residues affecting transglycosylation activity in family 18 chitinases… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6F8N
- Type
- protein
- Length
- 797 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycoside hydrolase family 18
- UniProt
- A8GFD6
- Ligands
- NAG, CL
- Pockets
- 6 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glycoside hydrolase family 18 | protein | 398 | 38% helix, 20% strand | A8GFD6 |
| B | Glycoside hydrolase family 18 | protein | 399 | 37% helix, 20% strand | A8GFD6 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 308 | 0.68 | 0.82 | 29 | NAG, EDO |
| 2 | 673 | 0.68 | 0.76 | 93 | empty |
| 3 | 323 | 0.68 | 0.82 | 41 | NAG, EDO |
| 4 | 139 | 0.46 | 0.77 | 23 | EDO |
| 5 | 104 | 0.41 | 0.77 | 21 | EDO |
Interfaces
1 interface between chains.
- A–B · 427 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6F8N · Key residues affecting transglycosylation activity in family 18 chitinases - Insights… · 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 A8GFD6
- Elsewhere: RCSB PDB 6F8N · PDBe 6F8N · UniProt A8GFD6
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