MolNFT v1 · #159250 · protein
Crystal structure of aspergillus fumigatus EGA3 complex with galactosamine
6OJB · Endo alpha-1,4 polygalactosaminidase: “Crystal structure of aspergillus fumigatus EGA3 complex with galactosamine”. X-ray diffraction, 4 ligands (X6X, MAN, NAG), 1 pocket (best druggability 0.62). MolNFT v1 #159250 on GenesisL1: 3D…
- PDB
- 6OJB
- Type
- protein
- Length
- 251 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endo alpha-1,4 polygalactosaminidase
- UniProt
- Q4WX16
- Ligands
- X6X, MAN, NAG, BMA
- Pockets
- 1 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endo alpha-1,4 polygalactosaminidase | protein | 251 | 32% helix, 21% strand | Q4WX16 |
Ligands and binding sites
- X6X · 2-amino-2-deoxy-alpha-D-galactopyranose · ligand · chains A
- MAN · alpha-D-mannopyranose · sugar · 9 copies · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 copies · chains A
- BMA · beta-D-mannopyranose · sugar · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 359 | 0.62 | 0.78 | 42 | X6X |
Modifications
Observed in the structure: 5 glycan, 3 disulfide (N-glycosylation, disulfide).
Compared structures
- 6OJB · Crystal Structure of Aspergillus fumigatus Ega3 complex with galactosamine · 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 Q4WX16
- Elsewhere: RCSB PDB 6OJB · PDBe 6OJB · UniProt Q4WX16
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