MolNFT v1 · #46363 · protein
Crystal structure of GNPNAT1
2O28 · Glucosamine 6-phosphate N-acetyltransferase: “Crystal structure of GNPNAT1”. X-ray diffraction, 2 ligands (COA, 16G), 2 pockets (best druggability 0.61). MolNFT v1 #46363 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2O28
- Type
- protein
- Length
- 362 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucosamine 6-phosphate N-acetyltransferase
- EC
- 2.3.1.4
- UniProt
- Q96EK6
- Ligands
- COA, 16G
- Pockets
- 2 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glucosamine 6-phosphate N-acetyltransferase (EC 2.3.1.4) | protein | 182 | 34% helix, 29% strand | Q96EK6 |
| B | Glucosamine 6-phosphate N-acetyltransferase (EC 2.3.1.4) | protein | 180 | 36% helix, 29% strand | Q96EK6 |
Ligands and binding sites
- COA · Coenzyme A · ligand · 2 copies · chains A, B
- 16G · 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose · ligand · chains A, B
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 | 302 | 0.61 | 0.79 | 33 | COA |
| 2 | 267 | 0.60 | 0.79 | 33 | 16G, COA |
Interfaces
1 interface between chains.
- A–B · 3165 Ų buried · 57 hydrogen bonds · protein-protein
Compared structures
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 Q96EK6
- Elsewhere: RCSB PDB 2O28 · PDBe 2O28 · UniProt Q96EK6
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