Research workbench
Crystal structure of the enoyl reductase domain of dfna from bacillus amyloliquefaciens
Analyse Crystal structure of the enoyl reductase domain of dfna from bacillus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4CW5
- Type
- protein
- Length
- 875 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dfna
- UniProt
- A7Z6E3
- Ligands
- FMN
- Pockets
- 9 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dfna | protein | 437 | 52% helix, 12% strand | A7Z6E3 |
| B | Dfna | protein | 438 | 52% helix, 12% strand | A7Z6E3 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1134 | 0.78 | 0.80 | 74 | FMN |
| 2 | 1160 | 0.78 | 0.80 | 71 | FMN |
| 3 | 805 | 0.71 | 0.77 | 78 | empty |
| 4 | 73 | 0.49 | 0.84 | 19 | empty |
| 5 | 78 | 0.45 | 0.81 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1004 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 38 modified (engineered).
Compared structures
- 4CW5 · Crystal structure of the enoyl reductase domain of DfnA from Bacillus amyloliquefaciens · 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 A7Z6E3
- Elsewhere: RCSB PDB 4CW5 · PDBe 4CW5 · UniProt A7Z6E3
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