Research workbench
CPGH89 (E483Q, E601Q), from clostridium perfringens, in complex with its substrate glcnac-alpha-1,4-galactose
Analyse CPGH89 (E483Q, E601Q), from clostridium perfringens, in complex with its… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4A4A
- Type
- protein
- Length
- 886 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-N-acetylglucosaminidase family protein
- EC
- 3.2.1.50
- UniProt
- Q0TST1
- Ligands
- GAL, NDG, CA, SO4
- Pockets
- 7 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-N-acetylglucosaminidase family protein (EC 3.2.1.50) | protein | 886 | 41% helix, 16% strand | Q0TST1 |
Ligands and binding sites
- GAL · beta-D-galactopyranose · sugar · chains A
- NDG · 2-acetamido-2-deoxy-alpha-D-glucopyranose · sugar · chains A
- CA · Calcium ion · metal · chains A
- SO4 · Sulfate ion · ion · 11 copies · chains A
- GOL · Glycerol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 484 | 0.73 | 0.82 | 61 | empty |
| 2 | 264 | 0.67 | 0.83 | 25 | empty |
| 3 | 114 | 0.65 | 0.88 | 22 | GAL, NDG |
| 4 | 221 | 0.55 | 0.78 | 38 | empty |
| 5 | 153 | 0.50 | 0.78 | 22 | empty |
Compared structures
- 4A4A · CpGH89 (E483Q, E601Q), from Clostridium perfringens, in complex with its substrate… · 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 Q0TST1
- Elsewhere: RCSB PDB 4A4A · PDBe 4A4A · UniProt Q0TST1
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