MolNFT v1 · #124430 · protein
X-ray structure of a glucosamine N-acetyltransferase from clostridium acetobutylicum, apo form, pH 5
5KF1 · Predicted acetyltransferase: “X-ray structure of a glucosamine N-acetyltransferase from clostridium acetobutylicum, apo form, pH 5”. X-ray diffraction, 2 ligands (ACO, COA), 6 pockets (best druggability 0.78). MolNFT v1 #124430 on…
- PDB
- 5KF1
- Type
- protein
- Length
- 628 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Predicted acetyltransferase
- UniProt
- Q97ML2
- Ligands
- ACO, COA
- Pockets
- 6 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Predicted acetyltransferase | protein | 316 | 35% helix, 32% strand | Q97ML2 |
| B | Predicted acetyltransferase | protein | 312 | 36% helix, 32% strand | Q97ML2 |
Ligands and binding sites
- ACO · Acetyl coenzyme *A · ligand · 2 copies · chains A, B
- COA · Coenzyme A · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 443 | 0.78 | 0.86 | 45 | ACO |
| 2 | 439 | 0.78 | 0.86 | 40 | ACO |
| 3 | 437 | 0.68 | 0.79 | 60 | COA |
| 4 | 457 | 0.67 | 0.79 | 62 | COA |
| 5 | 116 | 0.65 | 0.88 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1395 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 5KF1 · X-ray structure of a glucosamine N-Acetyltransferase from Clostridium acetobutylicum, apo… · 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 5KF1 · PDBe 5KF1 · UniProt Q97ML2
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.