Research workbench
Short chain dehydrogenase 2 (SCR2) crystal structure with NADPH
Analyse Short chain dehydrogenase 2 (SCR2) crystal structure with NADPH in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7DLL
- Type
- protein
- Length
- 549 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- (S)-specific carbonyl reductase
- UniProt
- D5G304
- Ligands
- NDP
- Pockets
- 5 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | (S)-specific carbonyl reductase | protein | 275 | 45% helix, 14% strand | D5G304 |
| B | (S)-specific carbonyl reductase | protein | 274 | 45% helix, 14% strand | D5G304 |
Ligands and binding sites
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 461 | 0.67 | 0.79 | 49 | NDP |
| 2 | 390 | 0.61 | 0.77 | 45 | NDP |
| 3 | 243 | 0.57 | 0.79 | 26 | empty |
| 4 | 212 | 0.55 | 0.78 | 25 | empty |
| 5 | 163 | 0.48 | 0.77 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 2739 Ų buried · 31 hydrogen bonds · protein-protein
Compared structures
- 7DLL · Short chain dehydrogenase 2 (SCR2) crystal structure with NADPH · 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 D5G304
- Elsewhere: RCSB PDB 7DLL · PDBe 7DLL · UniProt D5G304
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.