Research workbench
Crystal structure of perakine reductase, founder member of a novel akr subfamily with unique conformational changes during NADPH binding
Analyse Crystal structure of perakine reductase, founder member of a novel akr… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3V0S
- Type
- protein
- Length
- 287 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Perakine reductase
- EC
- 1.1.1.-
- UniProt
- Q3L181
- Ligands
- ATR
- Pockets
- 3 · best druggability 0.45
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Perakine reductase (EC 1.1.1.-) | protein | 287 | 45% helix, 18% strand | Q3L181 |
Ligands and binding sites
- ATR · 2'-monophosphoadenosine-5'-diphosphate · ligand · chains 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 75 | 0.45 | 0.81 | 13 | empty |
| 2 | 126 | 0.44 | 0.77 | 23 | ATR |
| 3 | 50 | 0.28 | 0.75 | 12 | empty |
Modifications
Observed in the structure: 6 modified (methylation).
Compared structures
- 3V0S · Crystal Structure of Perakine Reductase, Founder Member of a Novel AKR Subfamily with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q3L181 · AlphaFold monomer V2.0 prediction for perakine reductase (Q3L181) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 Q3L181
- Elsewhere: RCSB PDB 3V0S · PDBe 3V0S · UniProt Q3L181
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