MolNFT v1 · #87479 · protein
Crystal structure of endo-xylogalacturonan hydrolase from aspergillus tubingensis
4C2L · Endo-xylogalacturonan hydrolase a: “Crystal structure of endo-xylogalacturonan hydrolase from aspergillus tubingensis”. X-ray diffraction, 3 ligands (NAG, MAN, SO4), 1 pocket (best druggability 0.33). MolNFT v1 #87479 on GenesisL1…
- PDB
- 4C2L
- Type
- protein
- Length
- 372 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endo-xylogalacturonan hydrolase a
- EC
- 3.2.1.-
- UniProt
- Q9UUZ2
- Ligands
- NAG, MAN, SO4
- Pockets
- 1 · best druggability 0.33
Structure
x-ray diffraction · 1 distinct chain · 8% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endo-xylogalacturonan hydrolase a (EC 3.2.1.-) | protein | 372 | 8% helix, 50% strand | Q9UUZ2 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A
- MAN · alpha-D-mannopyranose · sugar · chains A
- SO4 · Sulfate ion · ion · 7 copies · chains A
- GOL · Glycerol · additive · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 103 | 0.33 | 0.73 | 26 | empty |
Modifications
Observed in the structure: 6 disulfide, 3 glycan (disulfide, N-glycosylation, O-glycosylation).
Compared structures
- 4C2L · Crystal structure of endo-xylogalacturonan hydrolase from Aspergillus tubingensis · the same entry in another collection · chain A against A, TM-score 1.00
- Q9UUZ2 · AlphaFold monomer V2.0 prediction for endo-xylogalacturonan hydrolase a (Q9UUZ2) · a predicted model of the same protein · 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 Q9UUZ2
- Elsewhere: RCSB PDB 4C2L · PDBe 4C2L · UniProt Q9UUZ2
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