MolNFT v1 · #149765 · protein
Crystal structure of aspergillus fumigatus udp-N-acetylglucosamine PYROPHOSPHORYLASE(AFUAP1) in complex with udpglcnac, pyrophosphate and MG2+
6G9V: “Crystal structure of aspergillus fumigatus udp-N-acetylglucosamine PYROPHOSPHORYLASE(AFUAP1) in complex with…”. X-ray diffraction, 3 ligands (UD1, PPV, MG), 11 pockets (best druggability 0.78). MolNFT v1 #149765 on GenesisL1: 3D…
- PDB
- 6G9V
- Type
- protein
- Length
- 925 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
- UD1, PPV, MG
- Pockets
- 11 · best druggability 0.78
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 | 461 | 41% helix, 23% strand | Q4WAR0 |
| B | Udp-N-acetylglucosamine pyrophosphorylase (EC 2.7.7.23) | protein | 464 | 40% helix, 22% strand | Q4WAR0 |
Ligands and binding sites
- UD1 · Uridine-diphosphate-N-acetylglucosamine · ligand · chains B
- PPV · Pyrophosphate · ligand · chains B
- MG · Magnesium ion · metal
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 552 | 0.78 | 0.84 | 56 | UD1, PPV, MG |
| 2 | 362 | 0.75 | 0.86 | 32 | empty |
| 3 | 376 | 0.73 | 0.84 | 40 | empty |
| 4 | 152 | 0.62 | 0.85 | 31 | empty |
| 5 | 126 | 0.62 | 0.86 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 1027 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 6G9V · Crystal structure of Aspergillus fumigatus UDP-N-acetylglucosamine… · 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 6G9V · PDBe 6G9V · UniProt Q4WAR0
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