Research workbench
Crystal structure of aspergillus fumigatus udp galactopyranose mutase complexed with udp 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
- 3UTG
- 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, UDP, SO4
- Pockets
- 17 · 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 | 38% helix, 24% strand | Q4W1X2 |
Ligands and binding sites
- FDA · Dihydroflavine-adenine dinucleotide · ligand · 4 copies · chains A, B, C, D
- UDP · Uridine-5'-diphosphate · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 18 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 823 | 0.85 | 0.87 | 84 | FDA, UDP |
| 2 | 828 | 0.84 | 0.87 | 86 | FDA, UDP |
| 3 | 1172 | 0.79 | 0.81 | 90 | FDA, SO4 |
| 4 | 1154 | 0.79 | 0.80 | 93 | FDA, SO4 |
| 5 | 85 | 0.76 | 0.98 | 38 | empty |
Interfaces
6 interfaces between chains.
- B–D · 1222 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 1209 Ų buried · 18 hydrogen bonds · protein-protein
- B–C · 916 Ų buried · 4 hydrogen bonds · protein-protein
- A–D · 904 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 47 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3UTG · Crystal structure of Aspergillus fumigatus UDP galactopyranose mutase complexed with UDP… · 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 3UTG · PDBe 3UTG · UniProt Q4W1X2
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