MolNFT v1 · #69970 · protein
Crystal structure of putative short chain DEHYDROGENASE/REDUCTASE family oxidoreductase from aeromonas hydrophila subsp. hydrophila atcc 7966
3L6E · Oxidoreductase, short-chain DEHYDROGENASE/REDUCTASE family: “Crystal structure of putative short chain DEHYDROGENASE/REDUCTASE family oxidoreductase from aeromonas…”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability…
- PDB
- 3L6E
- Type
- protein
- Length
- 420 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Oxidoreductase, short-chain DEHYDROGENASE/REDUCTASE family
- UniProt
- A0KPA6
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Oxidoreductase, short-chain DEHYDROGENASE/REDUCTASE family | protein | 210 | 47% helix, 24% strand | A0KPA6 |
| B | Oxidoreductase, short-chain DEHYDROGENASE/REDUCTASE family | protein | 210 | 45% helix, 23% strand | A0KPA6 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 723 | 0.72 | 0.78 | 74 | SO4 |
| 2 | 353 | 0.60 | 0.77 | 36 | empty |
| 3 | 274 | 0.58 | 0.78 | 34 | SO4 |
| 4 | 94 | 0.47 | 0.81 | 23 | empty |
| 5 | 111 | 0.46 | 0.79 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 1356 Ų buried · 41 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 3L6E · Crystal structure of putative short chain dehydrogenase/reductase family oxidoreductase… · 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 A0KPA6
- Elsewhere: RCSB PDB 3L6E · PDBe 3L6E · UniProt A0KPA6
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