Research workbench
Crystal structure of sla reductase yihu from E. COLI
Analyse Crystal structure of sla reductase yihu from E. COLI in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6SM7
- Type
- protein
- Length
- 1,179 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-sulfolactaldehyde reductase
- EC
- 1.1.1.373
- UniProt
- A0A066Q5Q8
- Ligands
- BO3
- Pockets
- 13 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-sulfolactaldehyde reductase (EC 1.1.1.373) | protein | 294 | 52% helix, 13% strand | A0A066Q5Q8 |
| B, D, C | 3-sulfolactaldehyde reductase (EC 1.1.1.373) | protein | 295 | 51% helix, 13% strand | A0A066Q5Q8 |
Ligands and binding sites
- BO3 · Boric acid · ion · 4 copies · chains A, B, D, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 246 | 0.85 | 0.97 | 52 | empty |
| 2 | 403 | 0.71 | 0.82 | 42 | BO3 |
| 3 | 480 | 0.71 | 0.81 | 51 | BO3 |
| 4 | 444 | 0.71 | 0.81 | 49 | BO3 |
| 5 | 448 | 0.70 | 0.80 | 51 | BO3 |
Interfaces
6 interfaces between chains.
- D–C · 4259 Ų buried · 35 hydrogen bonds · protein-protein
- A–B · 4226 Ų buried · 36 hydrogen bonds · protein-protein
- B–C · 739 Ų buried · 11 hydrogen bonds · protein-protein
- A–D · 736 Ų buried · 9 hydrogen bonds · protein-protein
- B–D · 208 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 6SM7 · Crystal structure of SLA Reductase YihU from E. Coli · 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 A0A066Q5Q8
- Elsewhere: RCSB PDB 6SM7 · PDBe 6SM7 · UniProt A0A066Q5Q8
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