Research workbench
X-ray structure of GH31 CBM32-2 bound to galnac
Analyse X-ray structure of GH31 CBM32-2 bound to galnac in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4UAP
- Type
- protein
- Length
- 299 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycosyl hydrolase, family 31/FIBRONECTIN type III domain protein
- UniProt
- Q0TRJ3
- Ligands
- NGA, CA
- Pockets
- 3 · best druggability 0.58
Structure
x-ray diffraction · 2 distinct chains · 7% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glycosyl hydrolase, family 31/FIBRONECTIN type III domain protein | protein | 150 | 7% helix, 53% strand | Q0TRJ3 |
| B | Glycosyl hydrolase, family 31/FIBRONECTIN type III domain protein | protein | 149 | 7% helix, 53% strand | Q0TRJ3 |
Ligands and binding sites
- NGA · 2-acetamido-2-deoxy-beta-D-galactopyranose · sugar · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 449 | 0.58 | 0.74 | 66 | empty |
| 2 | 59 | 0.29 | 0.75 | 17 | empty |
| 3 | 56 | 0.29 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 493 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4UAP · X-ray structure of GH31 CBM32-2 bound to GalNAc · 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 Q0TRJ3
- Elsewhere: RCSB PDB 4UAP · PDBe 4UAP · UniProt Q0TRJ3
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.