MolNFT v1 · #190216 · protein
Crystal structure of imine reductase from actinoalloteichus hymeniacidonis in complex with NADPH
7WNN · 3-hydroxyisobutyrate dehydrogenase-like beta-hydroxyacid…: “Crystal structure of imine reductase from actinoalloteichus hymeniacidonis in complex with NADPH”. X-ray diffraction, 1 ligand (NAP), 3 pockets (best druggability 0.77).…
- PDB
- 7WNN
- Type
- protein
- Length
- 580 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-hydroxyisobutyrate dehydrogenase-like beta-hydroxyacid dehydrogenase
- UniProt
- A0A1D8BXU6
- Ligands
- NAP
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 57% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A | 3-hydroxyisobutyrate dehydrogenase-like beta-hydroxyacid dehydrogenase | protein | 290 | 57% helix, 13% strand | A0A1D8BXU6 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 512 | 0.77 | 0.84 | 56 | NAP |
| 2 | 466 | 0.76 | 0.84 | 53 | NAP |
| 3 | 51 | 0.27 | 0.74 | 11 | empty |
Interfaces
1 interface between chains.
- B–A · 4559 Ų buried · 35 hydrogen bonds · protein-protein
Compared structures
- 7WNN · Crystal structure of Imine Reductase from Actinoalloteichus hymeniacidonis in complex… · the same entry in another collection · chain B against B, 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 A0A1D8BXU6
- Elsewhere: RCSB PDB 7WNN · PDBe 7WNN · UniProt A0A1D8BXU6
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