Research workbench
Crystal structure of enoyl reductase domain of mlna from the macrolactin biosynthesis cluster from bacillus amyloliquefaciens
Analyse Crystal structure of enoyl reductase domain of mlna from the macrolactin… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4Z38
- Type
- protein
- Length
- 876 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mlna
- UniProt
- A7Z470
- Ligands
- FMN
- Pockets
- 13 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mlna | protein | 437 | 49% helix, 12% strand | A7Z470 |
| B | Mlna | protein | 439 | 49% helix, 12% strand | A7Z470 |
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
13 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1003 | 0.83 | 0.84 | 108 | FMN |
| 2 | 730 | 0.83 | 0.87 | 74 | FMN |
| 3 | 93 | 0.64 | 0.90 | 20 | empty |
| 4 | 79 | 0.63 | 0.91 | 21 | empty |
| 5 | 138 | 0.50 | 0.79 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1885 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 4Z38 · Crystal structure of enoyl reductase domain of MlnA from the macrolactin biosynthesis… · 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 A7Z470
- Elsewhere: RCSB PDB 4Z38 · PDBe 4Z38 · UniProt A7Z470
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