MolNFT v1 · #124437 · protein
X-ray structure of a glucosamine N-acetyltransferase from clostridium acetobutylicum in complex with N-acetylglucosamine
5KF9 · Predicted acetyltransferase: “X-ray structure of a glucosamine N-acetyltransferase from clostridium acetobutylicum in complex with…”. X-ray diffraction, 4 ligands (ACO, COA, EP1), 2 pockets (best druggability 0.68). MolNFT v1…
- PDB
- 5KF9
- 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, COA, EP1, NAG
- Pockets
- 2 · best druggability 0.68
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
- COA · Coenzyme A · ligand · chains A
- EP1 · 3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
- EDO · 1,2-ethanediol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 272 | 0.68 | 0.83 | 32 | ACO |
| 2 | 461 | 0.67 | 0.78 | 63 | NAG, COA, EP1 |
Compared structures
- 5KF9 · 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 5KF9 · PDBe 5KF9 · UniProt Q97ML2
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