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Structure of aspergillus fumigatus udp-galactopyranose mutase mutant N207A complexed with udp
Analyse Structure of aspergillus fumigatus udp-galactopyranose mutase mutant N207A… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4U8O
- 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
- UDP, FDA, SO4
- Pockets
- 18 · 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, 23% strand | Q4W1X2 |
Ligands and binding sites
- UDP · Uridine-5'-diphosphate · ligand · 6 copies · chains A, B, C, D
- FDA · Dihydroflavine-adenine dinucleotide · ligand · 4 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 26 copies · chains A, B, C, D
- EDO · 1,2-ethanediol · additive · 11 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 998 | 0.85 | 0.86 | 96 | FDA, UDP, EDO |
| 2 | 891 | 0.83 | 0.85 | 83 | FDA, UDP |
| 3 | 1186 | 0.79 | 0.80 | 93 | FDA, SO4, EDO |
| 4 | 1117 | 0.79 | 0.80 | 87 | FDA, SO4, EDO |
| 5 | 89 | 0.76 | 0.98 | 38 | empty |
Interfaces
6 interfaces between chains.
- B–D · 1210 Ų buried · 18 hydrogen bonds · protein-protein
- A–C · 1197 Ų buried · 20 hydrogen bonds · protein-protein
- B–C · 916 Ų buried · 4 hydrogen bonds · protein-protein
- A–D · 907 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 45 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4U8O · Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant N207A complexed with… · the same entry in another collection · chain B against B, 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 4U8O · PDBe 4U8O · UniProt Q4W1X2
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