Research workbench
X-ray structure of a glucosamine N-acetyltransferase from clostridium acetobutylicum in complex with glucosamine
Analyse X-ray structure of a glucosamine N-acetyltransferase from clostridium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5KF8
- Type
- protein
- Length
- 317 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Predicted acetyltransferase
- UniProt
- Q97ML2
- Ligands
- ACO, EP1, COA, GCS
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Predicted acetyltransferase | protein | 317 | 36% helix, 32% strand | Q97ML2 |
Ligands and binding sites
- ACO · Acetyl coenzyme *A · ligand · chains A
- EP1 · 3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid · ligand · chains A
- COA · Coenzyme A · ligand · chains A
- GCS · 2-amino-2-deoxy-beta-D-glucopyranose · sugar · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 65 | 0.69 | 0.95 | 19 | empty |
| 2 | 270 | 0.68 | 0.83 | 32 | ACO |
| 3 | 399 | 0.61 | 0.77 | 54 | GCS, EP1, COA |
Compared structures
- 5KF8 · X-ray structure of a glucosamine N-Acetyltransferase from Clostridium acetobutylicum in… · 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 Q97ML2
- Elsewhere: RCSB PDB 5KF8 · PDBe 5KF8 · UniProt Q97ML2
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