Research workbench
Crystal structure of retinol dehydratase in complex with anhydroretinol and inactive cofactor pap
Analyse Crystal structure of retinol dehydratase in complex with anhydroretinol and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1X8K
- Type
- protein
- Length
- 688 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Retinol dehydratase
- UniProt
- Q26490
- Ligands
- EMC, ANR, A3P, CA
- Pockets
- 2 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Retinol dehydratase | protein | 344 | 50% helix, 9% strand | Q26490 |
Ligands and binding sites
- EMC · Ethyl mercury ion · ligand · 2 copies · chains A, B
- ANR · Anhydroretinol · ligand · 2 copies · chains A, B
- A3P · Adenosine-3'-5'-diphosphate · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 699 | 0.87 | 0.90 | 84 | A3P, ANR |
| 2 | 717 | 0.86 | 0.90 | 76 | ANR, A3P |
Interfaces
1 interface between chains.
- A–B · 36 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1X8K · Crystal structure of retinol dehydratase in complex with anhydroretinol and inactive… · 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 Q26490
- Elsewhere: RCSB PDB 1X8K · PDBe 1X8K · UniProt Q26490
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