Research workbench
Crystal structure of easa, an old yellow enzyme from aspergillus fumigatus
Analyse Crystal structure of easa, an old yellow enzyme from aspergillus fumigatus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4QNW
- Type
- protein
- Length
- 369 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chanoclavine-I aldehyde reductase
- EC
- 1.3.1.100
- UniProt
- Q4WZ70
- Ligands
- FMN, SO4
- Pockets
- 2 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chanoclavine-I aldehyde reductase (EC 1.3.1.100) | protein | 369 | 38% helix, 14% strand | Q4WZ70 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · chains A
- SO4 · Sulfate ion · ion · 4 copies · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 461 | 0.70 | 0.80 | 35 | FMN |
| 2 | 79 | 0.59 | 0.88 | 19 | empty |
Compared structures
- 4QNW · Crystal structure of EasA, an old yellow enzyme from Aspergillus fumigatus · the same entry in another collection · chain A against A, TM-score 1.00
- Q4WZ70 · AlphaFold monomer V2.0 prediction for chanoclavine-I aldehyde reductase easa (Q4WZ70) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q4WZ70
- Elsewhere: RCSB PDB 4QNW · PDBe 4QNW · UniProt Q4WZ70
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