Research workbench
Hetero-oligomers of scr-SCR2 crystal structure with NADPH
Analyse Hetero-oligomers of scr-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
- 7DN1
- Type
- protein
- Length
- 560 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonyl reductase; (S)-specific carbonyl reductase
- EC
- 1.1.1.-
- UniProt
- B2KJ46, D5G304
- Ligands
- NDP
- Pockets
- 6 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbonyl reductase (EC 1.1.1.-) | protein | 280 | 45% helix, 13% strand | B2KJ46 |
| B | (S)-specific carbonyl reductase | protein | 280 | 46% helix, 13% 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
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 538 | 0.74 | 0.82 | 51 | NDP |
| 2 | 366 | 0.73 | 0.84 | 45 | NDP |
| 3 | 235 | 0.57 | 0.79 | 30 | empty |
| 4 | 235 | 0.53 | 0.77 | 26 | empty |
| 5 | 174 | 0.48 | 0.76 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 2705 Ų buried · 26 hydrogen bonds · protein-protein
Compared structures
- 7DN1 · Hetero-oligomers of SCR-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 B2KJ46
- Every structure of UniProt D5G304
- Elsewhere: RCSB PDB 7DN1 · PDBe 7DN1 · UniProt B2KJ46 · UniProt D5G304
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