Research workbench
Structural and functional studies of bexe: insights into oxidation during be-7585A biosynthesis
Analyse Structural and functional studies of bexe: insights into oxidation during… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4X4J
- Type
- protein
- Length
- 962 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative oxygenase
- UniProt
- D7RFJ3
- Ligands
- FAD, SO4
- Pockets
- 16 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative oxygenase | protein | 482 | 30% helix, 28% strand | D7RFJ3 |
| B | Putative oxygenase | protein | 480 | 30% helix, 28% strand | D7RFJ3 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 846 | 0.84 | 0.87 | 89 | empty |
| 2 | 1037 | 0.82 | 0.83 | 98 | FAD |
| 3 | 1132 | 0.81 | 0.82 | 98 | FAD |
| 4 | 78 | 0.65 | 0.92 | 27 | empty |
| 5 | 85 | 0.63 | 0.90 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 954 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4X4J · Structural and Functional Studies of BexE: Insights into Oxidation During BE-7585A… · 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 D7RFJ3
- Elsewhere: RCSB PDB 4X4J · PDBe 4X4J · UniProt D7RFJ3
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