MolNFT v1 · #108460 · protein
Crystal structure of deh reductase A1-R mutant
4W7H · Carbonyl reductase: “Crystal structure of deh reductase A1-R mutant”. X-ray diffraction, 2 pockets (best druggability 0.57). MolNFT v1 #108460 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4W7H
- Type
- protein
- Length
- 491 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonyl reductase
- UniProt
- D6RU56
- Pockets
- 2 · best druggability 0.57
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbonyl reductase | protein | 249 | 48% helix, 15% strand | D6RU56 |
| B | Carbonyl reductase | protein | 242 | 45% helix, 16% strand | D6RU56 |
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 352 | 0.57 | 0.75 | 47 | empty |
| 2 | 276 | 0.53 | 0.75 | 47 | empty |
Interfaces
1 interface between chains.
- A–B · 1665 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 4W7H · Crystal Structure of DEH Reductase A1-R Mutant · 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 D6RU56
- Elsewhere: RCSB PDB 4W7H · PDBe 4W7H · UniProt D6RU56
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