Research workbench
Crystal structure of aspergillus fumigatus glucosamine-6-phosphate N- acetyltransferase 1 in complex with compound 3
Analyse Crystal structure of aspergillus fumigatus glucosamine-6-phosphate N… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6TDF
- Type
- protein
- Length
- 165 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucosamine 6-phosphate N-acetyltransferase
- EC
- 2.3.1.4
- UniProt
- Q4WCU5
- Ligands
- ACO, N3Q, G6P
- Pockets
- 3 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glucosamine 6-phosphate N-acetyltransferase (EC 2.3.1.4) | protein | 165 | 36% helix, 21% strand | Q4WCU5 |
Ligands and binding sites
- ACO · Acetyl coenzyme *A · ligand · chains A
- N3Q · 2-[[3,5-bis(chloranyl)-4-(4~{H}-1,2,4-triazol-3-yl) phenyl]-(2-hydroxyethyl)amino]ethanol · ligand · chains A
- G6P · 6-O-phosphono-alpha-D-glucopyranose · sugar · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 197 | 0.51 | 0.76 | 21 | empty |
| 2 | 136 | 0.47 | 0.78 | 18 | empty |
| 3 | 125 | 0.39 | 0.74 | 23 | ACO |
Compared structures
- 6TDF · Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1… · 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 Q4WCU5
- Elsewhere: RCSB PDB 6TDF · PDBe 6TDF · UniProt Q4WCU5
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