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Crystal structure of aspergillus fumigatus udp galactopyranose mutase complexed with substrate udp-galp in reduced state
Analyse Crystal structure of aspergillus fumigatus udp galactopyranose mutase complexed… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3UTH
- Type
- protein
- Length
- 2,019 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
- FDA, GDU, SO4
- Pockets
- 16 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D | Udp-galactopyranose mutase (EC 5.4.99.9) | protein | 505 | 37% helix, 23% strand | Q4W1X2 |
| C | Udp-galactopyranose mutase (EC 5.4.99.9) | protein | 504 | 37% helix, 23% strand | Q4W1X2 |
Ligands and binding sites
- FDA · Dihydroflavine-adenine dinucleotide · ligand · 4 copies · chains A, B, C, D
- GDU · Galactose-uridine-5'-diphosphate · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 12 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 851 | 0.85 | 0.87 | 90 | FDA, GDU |
| 2 | 838 | 0.84 | 0.87 | 85 | FDA, GDU |
| 3 | 1173 | 0.79 | 0.80 | 90 | FDA, SO4 |
| 4 | 1146 | 0.79 | 0.80 | 90 | FDA, SO4 |
| 5 | 61 | 0.72 | 0.98 | 24 | empty |
Interfaces
6 interfaces between chains.
- B–D · 1221 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 1197 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 921 Ų buried · 4 hydrogen bonds · protein-protein
- A–D · 911 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 45 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3UTH · Crystal structure of Aspergillus fumigatus UDP galactopyranose mutase complexed with… · 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 3UTH · PDBe 3UTH · UniProt Q4W1X2
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