Research workbench
Crystal structure of udp-galactopyranose mutase from aspergillus fumigatus in complex with udp
Analyse Crystal structure of udp-galactopyranose mutase from aspergillus fumigatus in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3UKL
- Type
- protein
- Length
- 4,080 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Udp-galactopyranose mutase
- EC
- 5.4.99.9
- UniProt
- Q4W1X2
- Ligands
- UDP, FAD, CL
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | Udp-galactopyranose mutase (EC 5.4.99.9) | protein | 510 | 39% helix, 23% strand | Q4W1X2 |
Ligands and binding sites
- UDP · Uridine-5'-diphosphate · ligand · 8 copies · chains A, B, C, D, E, F, G, H
- FAD · Flavin-adenine dinucleotide · ligand · 8 copies · chains A, B, C, D, E, F, G, H
- CL · Chloride ion · ion · 8 copies · chains A, B, C, E, F, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 845 | 0.85 | 0.87 | 79 | UDP, FAD, CL |
| 2 | 867 | 0.85 | 0.87 | 81 | UDP, FAD |
| 3 | 857 | 0.85 | 0.87 | 84 | UDP, FAD, CL |
| 4 | 878 | 0.85 | 0.87 | 87 | UDP, FAD |
| 5 | 833 | 0.85 | 0.87 | 81 | UDP, FAD |
Interfaces
12 interfaces between chains.
- A–F · 1281 Ų buried · 25 hydrogen bonds · protein-protein
- C–E · 1274 Ų buried · 19 hydrogen bonds · protein-protein
- B–D · 1269 Ų buried · 22 hydrogen bonds · protein-protein
- G–H · 1252 Ų buried · 24 hydrogen bonds · protein-protein
- D–F · 938 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3UKL · Crystal structure of UDP-galactopyranose mutase from Aspergillus fumigatus in complex… · 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 Q4W1X2
- Elsewhere: RCSB PDB 3UKL · PDBe 3UKL · UniProt Q4W1X2
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