Research workbench
Structural and mechanistic studies of a novel non-heme iron EPIMERASE/LYASE and its utilization in chemoselective synthesis.
Analyse Structural and mechanistic studies of a novel non-heme iron EPIMERASE/LYASE and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7F6X
- Type
- protein
- Length
- 229 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cupin domain-containing protein
- UniProt
- L7PIL3
- Ligands
- I3A, GOA, FE
- Pockets
- 2 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 4% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cupin domain-containing protein | protein | 118 | 3% helix, 52% strand | L7PIL3 |
| B | Cupin domain-containing protein | protein | 111 | 5% helix, 53% strand | L7PIL3 |
Ligands and binding sites
- I3A · 1H-indole-3-carbaldehyde · ligand · chains A
- GOA · Glycolic acid · ligand · chains B
- FE · Fe (III) ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 227 | 0.62 | 0.81 | 40 | I3A |
| 2 | 193 | 0.49 | 0.76 | 25 | GOA |
Interfaces
1 interface between chains.
- A–B · 1523 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 7F6X · Structural and mechanistic studies of a novel non-heme iron epimerase/lyase and its… · 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 L7PIL3
- Elsewhere: RCSB PDB 7F6X · PDBe 7F6X · UniProt L7PIL3
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