Research workbench
Crystal structure of sla reductase yihu from E. COLI in complex with NADH
Analyse Crystal structure of sla reductase yihu from E. COLI in complex with NADH in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6SMZ
- Type
- protein
- Length
- 1,178 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
- P0A9V8
- Ligands
- NAD
- Pockets
- 10 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 3-sulfolactaldehyde reductase (EC 1.1.1.373) | protein | 294 | 52% helix, 13% strand | P0A9V8 |
| C, D | 3-sulfolactaldehyde reductase (EC 1.1.1.373) | protein | 295 | 52% helix, 13% strand | P0A9V8 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 527 | 0.83 | 0.89 | 70 | empty |
| 2 | 470 | 0.68 | 0.79 | 38 | NAD |
| 3 | 428 | 0.68 | 0.80 | 42 | NAD |
| 4 | 462 | 0.68 | 0.79 | 49 | NAD |
| 5 | 497 | 0.66 | 0.77 | 44 | NAD |
Interfaces
6 interfaces between chains.
- A–B · 4207 Ų buried · 32 hydrogen bonds · protein-protein
- C–D · 4125 Ų buried · 32 hydrogen bonds · protein-protein
- A–D · 737 Ų buried · 11 hydrogen bonds · protein-protein
- C–B · 733 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 166 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6SMZ · Crystal structure of SLA Reductase YihU from E. Coli in complex with NADH · the same entry in another collection · chain A against A, TM-score 1.00
- P0A9V8 · AlphaFold monomer V2.0 prediction for 3-sulfolactaldehyde reductase (P0A9V8) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P0A9V8
- Elsewhere: RCSB PDB 6SMZ · PDBe 6SMZ · UniProt P0A9V8
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.