Research workbench
Structure of a putative short chain dehydrogenase from pseudomonas syringae
Analyse Structure of a putative short chain dehydrogenase from pseudomonas syringae in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3I1J
- Type
- protein
- Length
- 489 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Oxidoreductase, short chain DEHYDROGENASE/REDUCTASE family
- EC
- 1.1.1.-
- UniProt
- Q885U1
- Ligands
- NA, CL
- Pockets
- 3 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Oxidoreductase, short chain DEHYDROGENASE/REDUCTASE family (EC 1.1.1.-) | protein | 247 | 47% helix, 14% strand | Q885U1 |
| B | Oxidoreductase, short chain DEHYDROGENASE/REDUCTASE family (EC 1.1.1.-) | protein | 242 | 47% helix, 14% strand | Q885U1 |
Ligands and binding sites
- NA · Sodium ion · metal · 4 copies · chains A, B
- CL · Chloride ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 9 copies · chains A, B
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 369 | 0.73 | 0.84 | 45 | empty |
| 2 | 327 | 0.70 | 0.83 | 42 | ACT, EDO |
| 3 | 69 | 0.32 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1771 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 3I1J · Structure of a putative short chain dehydrogenase from Pseudomonas syringae · 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 Q885U1
- Elsewhere: RCSB PDB 3I1J · PDBe 3I1J · UniProt Q885U1
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