MolNFT v1 · #81226 · protein
Crystal structure of udp-galactopyranose mutase from aspergillus fumigatus in complex with udpgalp (reduced)
3UKF: “Crystal structure of udp-galactopyranose mutase from aspergillus fumigatus in complex with udpgalp (reduced)”. X-ray diffraction, 3 ligands (GDU, FDA, CL), 20 pockets (best druggability 0.86). MolNFT v1 #81226 on GenesisL1: 3D…
- PDB
- 3UKF
- Type
- protein
- Length
- 4,072 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
- GDU, FDA, CL
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 22% 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 | 509 | 37% helix, 22% strand | Q4W1X2 |
Ligands and binding sites
- GDU · Galactose-uridine-5'-diphosphate · ligand · 8 copies · chains A, B, C, D, E, F, G, H
- FDA · Dihydroflavine-adenine dinucleotide · ligand · 8 copies · chains A, B, C, D, E, F, G, H
- CL · Chloride ion · ion · 8 copies · chains A, H, B, E, C, F, D, G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 952 | 0.86 | 0.87 | 90 | GDU, FDA |
| 2 | 967 | 0.85 | 0.86 | 79 | GDU, FDA |
| 3 | 965 | 0.85 | 0.86 | 85 | GDU, FDA |
| 4 | 932 | 0.85 | 0.87 | 83 | GDU, FDA |
| 5 | 976 | 0.85 | 0.86 | 90 | GDU, FDA |
Interfaces
11 interfaces between chains.
- A–H · 1230 Ų buried · 12 hydrogen bonds · protein-protein
- C–F · 1226 Ų buried · 16 hydrogen bonds · protein-protein
- D–G · 1223 Ų buried · 17 hydrogen bonds · protein-protein
- B–E · 1220 Ų buried · 11 hydrogen bonds · protein-protein
- B–D · 942 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 112 modified (engineered).
Compared structures
- 3UKF · 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 3UKF · PDBe 3UKF · UniProt Q4W1X2
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