MolNFT v1 · #16815 · protein
Comparison of family 12 glycoside hydrolases and recruited substitutions important for thermal stability
1OA3 · Endo-beta-1-4-glucanase: “Comparison of family 12 glycoside hydrolases and recruited substitutions important for thermal stability”. X-ray diffraction, 1 ligand (NAG), 5 pockets (best druggability 0.59). MolNFT v1 #16815 on…
- PDB
- 1OA3
- Type
- protein
- Length
- 872 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endo-beta-1-4-glucanase
- EC
- 3.2.1.4
- UniProt
- Q8NJY6
- Ligands
- NAG
- Pockets
- 5 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 56% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Endo-beta-1-4-glucanase (EC 3.2.1.4) | protein | 218 | 7% helix, 56% strand | Q8NJY6 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 406 | 0.59 | 0.76 | 54 | empty |
| 2 | 178 | 0.47 | 0.76 | 39 | empty |
| 3 | 206 | 0.47 | 0.74 | 40 | empty |
| 4 | 166 | 0.44 | 0.74 | 34 | empty |
| 5 | 114 | 0.38 | 0.75 | 23 | empty |
Interfaces
3 interfaces between chains.
- B–C · 395 Ų buried · 4 hydrogen bonds · protein-protein
- B–D · 138 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 49 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide, 4 glycan, 4 modified (disulfide, N-glycosylation, cyclization).
Compared structures
- 1OA3 · Comparison of Family 12 Glycoside Hydrolases and Recruited Substitutions Important for… · 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 Q8NJY6
- Elsewhere: RCSB PDB 1OA3 · PDBe 1OA3 · UniProt Q8NJY6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.