Research workbench
Crystal structure of retinol dehydratase in complex with androsterone and inactive cofactor pap
Analyse Crystal structure of retinol dehydratase in complex with androsterone and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1X8J
- Type
- protein
- Length
- 686 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Retinol dehydratase
- UniProt
- Q26490
- Ligands
- A3P, AOI, CA
- Pockets
- 3 · 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 | 343 | 50% helix, 9% strand | Q26490 |
Ligands and binding sites
- A3P · Adenosine-3'-5'-diphosphate · ligand · 2 copies · chains A, B
- AOI · Androsterone · 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
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 | 712 | 0.87 | 0.90 | 78 | A3P, AOI |
| 2 | 700 | 0.86 | 0.90 | 73 | A3P, AOI |
| 3 | 61 | 0.26 | 0.72 | 9 | empty |
Interfaces
1 interface between chains.
- A–B · 85 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 1X8J · Crystal structure of retinol dehydratase in complex with androsterone and inactive… · 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 Q26490
- Elsewhere: RCSB PDB 1X8J · PDBe 1X8J · UniProt Q26490
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