MolNFT v1 · #165195 · protein
Crystal structure of aspergillus fumigatus udp-N-acetylglucosamine pyrophosphorylase in complex with glcnac-1P
6TN3: “Crystal structure of aspergillus fumigatus udp-N-acetylglucosamine pyrophosphorylase in complex with glcnac-1P”. X-ray diffraction, 2 ligands (GN1, PO4), 11 pockets (best druggability 0.78). MolNFT v1 #165195 on GenesisL1: 3D…
- PDB
- 6TN3
- Type
- protein
- Length
- 905 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Udp-N-acetylglucosamine pyrophosphorylase
- EC
- 2.7.7.23
- UniProt
- Q4WAR0
- Ligands
- GN1, PO4
- Pockets
- 11 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Udp-N-acetylglucosamine pyrophosphorylase (EC 2.7.7.23) | protein | 442 | 39% helix, 24% strand | Q4WAR0 |
| B | Udp-N-acetylglucosamine pyrophosphorylase (EC 2.7.7.23) | protein | 463 | 40% helix, 21% strand | Q4WAR0 |
Ligands and binding sites
- GN1 · 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose · ligand · chains B
- PO4 · Phosphate ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 715 | 0.78 | 0.83 | 67 | empty |
| 2 | 525 | 0.76 | 0.83 | 45 | PO4, GN1 |
| 3 | 421 | 0.71 | 0.82 | 63 | empty |
| 4 | 162 | 0.61 | 0.84 | 25 | empty |
| 5 | 345 | 0.60 | 0.77 | 42 | empty |
Interfaces
1 interface between chains.
- A–B · 963 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 6TN3 · Crystal Structure of Aspergillus fumigatus UDP-N-acetylglucosamine pyrophosphorylase 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 Q4WAR0
- Elsewhere: RCSB PDB 6TN3 · PDBe 6TN3 · UniProt Q4WAR0
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