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Crystal structure of a putative short-chain DEHYDROGENASE/REDUCTASE from corynebacterium glutamicum
Analyse Crystal structure of a putative short-chain DEHYDROGENASE/REDUCTASE from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3E9N
- Type
- protein
- Length
- 1,463 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative short-chain DEHYDROGENASE/REDUCTASE
- EC
- 1.1.1.36
- UniProt
- Q8NMW9
- Pockets
- 16 · best druggability 0.49
Structure
x-ray diffraction · 7 distinct chains · 51% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, G | Putative short-chain DEHYDROGENASE/REDUCTASE (EC 1.1.1.36) | protein | 189 | 51% helix, 22% strand | Q8NMW9 |
| B | Putative short-chain DEHYDROGENASE/REDUCTASE (EC 1.1.1.36) | protein | 181 | 51% helix, 22% strand | Q8NMW9 |
| C | Putative short-chain DEHYDROGENASE/REDUCTASE (EC 1.1.1.36) | protein | 181 | 51% helix, 21% strand | Q8NMW9 |
| D | Putative short-chain DEHYDROGENASE/REDUCTASE (EC 1.1.1.36) | protein | 180 | 51% helix, 22% strand | Q8NMW9 |
| E | Putative short-chain DEHYDROGENASE/REDUCTASE (EC 1.1.1.36) | protein | 182 | 52% helix, 21% strand | Q8NMW9 |
| F | Putative short-chain DEHYDROGENASE/REDUCTASE (EC 1.1.1.36) | protein | 180 | 52% helix, 21% strand | Q8NMW9 |
| H | Putative short-chain DEHYDROGENASE/REDUCTASE (EC 1.1.1.36) | protein | 181 | 52% helix, 22% strand | Q8NMW9 |
Pockets
16 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 120 | 0.49 | 0.80 | 20 | empty |
| 2 | 145 | 0.49 | 0.78 | 27 | empty |
| 3 | 137 | 0.48 | 0.78 | 24 | empty |
| 4 | 103 | 0.46 | 0.79 | 19 | empty |
| 5 | 123 | 0.46 | 0.78 | 24 | empty |
Interfaces
8 interfaces between chains.
- A–B · 1149 Ų buried · 23 hydrogen bonds · protein-protein
- E–G · 972 Ų buried · 0 hydrogen bonds · protein-protein
- F–H · 972 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 962 Ų buried · 1 hydrogen bond · protein-protein
- G–H · 946 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 3E9N · Crystal structure of a putative short-chain dehydrogenase/reductase from Corynebacterium… · 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 Q8NMW9
- Elsewhere: RCSB PDB 3E9N · PDBe 3E9N · UniProt Q8NMW9
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