MolNFT v1 · #81525 · protein
Crystal structure of aspergillus fumigatus udp galactopyranose mutase sulfate complex
3UTE · Udp-galactopyranose mutase: “Crystal structure of aspergillus fumigatus udp galactopyranose mutase sulfate complex”. X-ray diffraction, 2 ligands (FAD, SO4), 20 pockets (best druggability 0.82). MolNFT v1 #81525 on GenesisL1: 3D…
- PDB
- 3UTE
- Type
- protein
- Length
- 2,018 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Udp-galactopyranose mutase
- EC
- 5.4.99.9
- UniProt
- Q4W1X2
- Ligands
- FAD, SO4
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Udp-galactopyranose mutase (EC 5.4.99.9) | protein | 505 | 37% helix, 23% strand | Q4W1X2 |
| C, D | Udp-galactopyranose mutase (EC 5.4.99.9) | protein | 504 | 37% helix, 23% strand | Q4W1X2 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 4 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 17 copies · chains A, B, C, D
- ACT · Acetate ion · additive · chains B
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1093 | 0.82 | 0.83 | 95 | FAD, SO4 |
| 2 | 1050 | 0.82 | 0.83 | 94 | FAD, SO4, GOL |
| 3 | 1144 | 0.80 | 0.81 | 96 | FAD, SO4 |
| 4 | 612 | 0.79 | 0.84 | 66 | FAD, SO4 |
| 5 | 103 | 0.77 | 0.98 | 37 | empty |
Interfaces
6 interfaces between chains.
- A–C · 1197 Ų buried · 17 hydrogen bonds · protein-protein
- B–D · 1183 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 908 Ų buried · 4 hydrogen bonds · protein-protein
- A–D · 907 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 40 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3UTE · Crystal structure of Aspergillus fumigatus UDP galactopyranose mutase sulfate 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 3UTE · PDBe 3UTE · UniProt Q4W1X2
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