Research workbench
Crystal structure of ene-reductase OYE2 from S. cerevisiae
Analyse Crystal structure of ene-reductase OYE2 from S. cerevisiae in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7BN7
- Type
- protein
- Length
- 1,582 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- OYE2 isoform 1
- EC
- 1.6.99.1
- UniProt
- A0A6A5PXJ0
- Ligands
- FMN
- Pockets
- 14 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D | OYE2 isoform 1 (EC 1.6.99.1) | protein | 396 | 37% helix, 14% strand | A0A6A5PXJ0 |
| B | OYE2 isoform 1 (EC 1.6.99.1) | protein | 394 | 36% helix, 14% strand | A0A6A5PXJ0 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 4 copies · chains A, B, C, D
- GOL · Glycerol · additive · 5 copies · chains A, B, D, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 266 | 0.84 | 0.95 | 43 | FMN, GOL |
| 2 | 265 | 0.83 | 0.94 | 36 | FMN, GOL |
| 3 | 321 | 0.81 | 0.91 | 50 | FMN, GOL |
| 4 | 327 | 0.81 | 0.91 | 45 | FMN, GOL |
| 5 | 852 | 0.68 | 0.74 | 74 | empty |
Interfaces
5 interfaces between chains.
- B–D · 850 Ų buried · 13 hydrogen bonds · protein-protein
- A–C · 847 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 159 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 77 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 41 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7BN7 · Crystal structure of ene-reductase OYE2 from S. cerevisiae · 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 A0A6A5PXJ0
- Elsewhere: RCSB PDB 7BN7 · PDBe 7BN7 · UniProt A0A6A5PXJ0
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