MolNFT v1 · #145588 · protein
Structure of a bacillus coagulans polyol dehydrogenase double mutant with an acquired D-lactate dehydrogenase activity
6CSJ · Glycerol dehydrogenase: “Structure of a bacillus coagulans polyol dehydrogenase double mutant with an acquired D-lactate dehydrogenase…”. X-ray diffraction, 20 pockets (best druggability 0.77). MolNFT v1 #145588 on GenesisL1: 3D…
- PDB
- 6CSJ
- Type
- protein
- Length
- 2,928 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycerol dehydrogenase
- EC
- 1.1.1.6
- UniProt
- A0A150JSL8
- Pockets
- 20 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 57% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | Glycerol dehydrogenase (EC 1.1.1.6) | protein | 366 | 57% helix, 13% strand | A0A150JSL8 |
Pockets
20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1033 | 0.77 | 0.79 | 100 | empty |
| 2 | 422 | 0.75 | 0.84 | 39 | empty |
| 3 | 441 | 0.74 | 0.83 | 36 | empty |
| 4 | 406 | 0.74 | 0.84 | 37 | empty |
| 5 | 443 | 0.73 | 0.83 | 37 | empty |
Interfaces
16 interfaces between chains.
- B–F · 1548 Ų buried · 30 hydrogen bonds · protein-protein
- C–G · 1547 Ų buried · 30 hydrogen bonds · protein-protein
- A–D · 1540 Ų buried · 30 hydrogen bonds · protein-protein
- E–H · 1533 Ų buried · 31 hydrogen bonds · protein-protein
- D–F · 646 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6CSJ · Structure of a Bacillus coagulans polyol dehydrogenase double mutant with an acquired… · 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 A0A150JSL8
- Elsewhere: RCSB PDB 6CSJ · PDBe 6CSJ · UniProt A0A150JSL8
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