MolNFT v1 · #149766 · protein
Crystal structure of aspergillus fumigatus udp-N-acetylglucosamine pyrophosphorylase in complex with UTP
6G9W: “Crystal structure of aspergillus fumigatus udp-N-acetylglucosamine pyrophosphorylase in complex with UTP”. X-ray diffraction, 1 ligand (UTP), 12 pockets (best druggability 0.82). MolNFT v1 #149766 on GenesisL1: 3D structure, binding…
- PDB
- 6G9W
- Type
- protein
- Length
- 928 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
- UTP
- Pockets
- 12 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Udp-N-acetylglucosamine pyrophosphorylase (EC 2.7.7.23) | protein | 460 | 40% helix, 23% strand | Q4WAR0 |
| B | Udp-N-acetylglucosamine pyrophosphorylase (EC 2.7.7.23) | protein | 468 | 40% helix, 23% strand | Q4WAR0 |
Ligands and binding sites
- UTP · Uridine 5'-triphosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 890 | 0.82 | 0.84 | 98 | UTP |
| 2 | 545 | 0.68 | 0.78 | 47 | UTP |
| 3 | 286 | 0.62 | 0.80 | 36 | empty |
| 4 | 180 | 0.60 | 0.83 | 25 | empty |
| 5 | 109 | 0.60 | 0.86 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1017 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 6G9W · 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 6G9W · PDBe 6G9W · UniProt Q4WAR0
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