Research workbench
Crystal structure of E. COLI hypothetical oxidoreductase yiak northeast structural genomics consortium target ER82.
Analyse Crystal structure of E. COLI hypothetical oxidoreductase yiak northeast… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1NXU
- Type
- protein
- Length
- 665 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical oxidoreductase yiak
- EC
- 1.1.1.-
- UniProt
- P37672
- Ligands
- SO4
- Pockets
- 6 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical oxidoreductase yiak (EC 1.1.1.-) | protein | 332 | 45% helix, 18% strand | P37672 |
| B | Hypothetical oxidoreductase yiak (EC 1.1.1.-) | protein | 333 | 44% helix, 18% strand | P37672 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 86 | 0.78 | 0.98 | 22 | empty |
| 2 | 789 | 0.75 | 0.79 | 85 | SO4 |
| 3 | 655 | 0.72 | 0.79 | 61 | SO4 |
| 4 | 283 | 0.63 | 0.80 | 36 | SO4 |
| 5 | 154 | 0.50 | 0.78 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 3683 Ų buried · 38 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 30 modified (engineered).
Compared structures
- 1NXU · Crystal structure of E. COLI hypothetical oxidoreductase yiak northeast structural… · the same entry in another collection · chain A against A, TM-score 1.00
- P37672 · AlphaFold monomer V2.0 prediction for 2,3-diketo-L-gulonate reductase (P37672) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P37672
- Elsewhere: RCSB PDB 1NXU · PDBe 1NXU · UniProt P37672
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.