MolNFT v1 · #53417 · protein
Glucosamine-6-phosphate deaminase complexed with the allosteric activator N-acetyl-glucoamine-6-phosphate both in the active and allosteric sites.
2WU1: “Glucosamine-6-phosphate deaminase complexed with the allosteric activator N-acetyl-glucoamine-6-phosphate…”. X-ray diffraction, 2 ligands (16G, FGS), 4 pockets (best druggability 0.70). MolNFT v1 #53417 on GenesisL1: 3D structure…
- PDB
- 2WU1
- Type
- protein
- Length
- 532 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucosamine-6-phosphate deaminase
- EC
- 3.5.99.6
- UniProt
- P0A759
- Ligands
- 16G, FGS
- Pockets
- 4 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glucosamine-6-phosphate deaminase (EC 3.5.99.6) | protein | 266 | 43% helix, 17% strand | P0A759 |
Ligands and binding sites
- 16G · 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose · ligand · 2 copies · chains A, B
- FGS · 5-(acetylamino)-5-deoxy-1-O-phosphono-L-iditol · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 250 | 0.70 | 0.85 | 35 | FGS |
| 2 | 210 | 0.68 | 0.85 | 35 | FGS |
| 3 | 79 | 0.32 | 0.74 | 16 | empty |
| 4 | 66 | 0.31 | 0.75 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 534 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 2WU1 · Glucosamine-6-Phosphate Deaminase Complexed with the Allosteric Activator… · the same entry in another collection · chain A against A, TM-score 1.00
- P0A759 · AlphaFold monomer V2.0 prediction for glucosamine-6-phosphate deaminase (P0A759) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P0A759
- Elsewhere: RCSB PDB 2WU1 · PDBe 2WU1 · UniProt P0A759
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