MolNFT v1 · #81236 · protein
Crystal structure of R327A udp-galactopyranose mutase from aspergillus fumigatus in complex with udpgalp
3UKP: “Crystal structure of R327A udp-galactopyranose mutase from aspergillus fumigatus in complex with udpgalp”. X-ray diffraction, 2 ligands (FAD, GDU), 20 pockets (best druggability 0.88). MolNFT v1 #81236 on GenesisL1: 3D structure…
- PDB
- 3UKP
- 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
- FAD, GDU
- Pockets
- 20 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 23% 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 | 36% helix, 23% strand | Q4W1X2 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 8 copies · chains A, B, C, D, E, F, G, H
- GDU · Galactose-uridine-5'-diphosphate · ligand · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 889 | 0.88 | 0.90 | 85 | FAD, GDU |
| 2 | 911 | 0.88 | 0.90 | 86 | FAD, GDU |
| 3 | 1042 | 0.86 | 0.87 | 91 | FAD, GDU |
| 4 | 1054 | 0.86 | 0.87 | 98 | FAD, GDU |
| 5 | 1071 | 0.86 | 0.87 | 97 | FAD, GDU |
Interfaces
14 interfaces between chains.
- B–F · 1226 Ų buried · 20 hydrogen bonds · protein-protein
- D–H · 1163 Ų buried · 14 hydrogen bonds · protein-protein
- C–G · 1138 Ų buried · 18 hydrogen bonds · protein-protein
- A–E · 1127 Ų buried · 12 hydrogen bonds · protein-protein
- A–G · 860 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 3UKP · Crystal structure of R327A UDP-galactopyranose mutase from Aspergillus fumigatus in… · the same entry in another collection · chain F against F, 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 3UKP · PDBe 3UKP · UniProt Q4W1X2
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