MolNFT v1 · #81221 · protein
Crystal structure of udp-galactopyranose mutase from aspergillus fumigatus
3UKA: “Crystal structure of udp-galactopyranose mutase from aspergillus fumigatus”. X-ray diffraction, 1 ligand (FAD), 20 pockets (best druggability 0.82). MolNFT v1 #81221 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3UKA
- Type
- protein
- Length
- 2,029 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
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 3 distinct chains · 38% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Udp-galactopyranose mutase (EC 5.4.99.9) | protein | 506 | 37% helix, 22% strand | Q4W1X2 |
| B | Udp-galactopyranose mutase (EC 5.4.99.9) | protein | 505 | 38% helix, 22% strand | Q4W1X2 |
| C, D | Udp-galactopyranose mutase (EC 5.4.99.9) | protein | 509 | 38% helix, 23% strand | Q4W1X2 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1026 | 0.82 | 0.83 | 85 | FAD |
| 2 | 1177 | 0.81 | 0.82 | 90 | FAD |
| 3 | 1186 | 0.81 | 0.82 | 90 | FAD |
| 4 | 1116 | 0.81 | 0.82 | 83 | FAD |
| 5 | 80 | 0.75 | 0.98 | 32 | empty |
Interfaces
6 interfaces between chains.
- B–C · 1316 Ų buried · 18 hydrogen bonds · protein-protein
- A–D · 1282 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 955 Ų buried · 6 hydrogen bonds · protein-protein
- B–D · 952 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 49 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 56 modified (engineered).
Compared structures
- 3UKA · CRYSTAL STRUCTURE OF UDP-galactopyranose mutase from Aspergillus fumigatus · 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 3UKA · PDBe 3UKA · UniProt Q4W1X2
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.