Research workbench
Nuclear receptor daf-12 from hookworm ancylostoma ceylanicum in complex with (25S)-DELTA7-dafachronic acid
Analyse Nuclear receptor daf-12 from hookworm ancylostoma ceylanicum in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3UP0
- Type
- protein
- Length
- 509 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acedaf-12; Nuclear receptor coactivator 2
- UniProt
- Q15596
- Ligands
- D7S
- Pockets
- 8 · best druggability 0.86
Structure
x-ray diffraction · 3 distinct chains · 67% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Acedaf-12 | protein | 242 | 67% helix, 2% strand | — |
| P | Nuclear receptor coactivator 2 | protein | 13 | 62% helix, 0% strand | Q15596 |
| Q | Nuclear receptor coactivator 2 | protein | 12 | 67% helix, 0% strand | Q15596 |
Ligands and binding sites
- D7S · (5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 281 | 0.86 | 0.97 | 32 | D7S |
| 2 | 294 | 0.86 | 0.96 | 32 | D7S |
| 3 | 280 | 0.68 | 0.83 | 40 | empty |
| 4 | 640 | 0.68 | 0.77 | 66 | empty |
| 5 | 84 | 0.67 | 0.91 | 16 | empty |
Interfaces
4 interfaces between chains.
- A–B · 704 Ų buried · 10 hydrogen bonds · protein-protein
- A–P · 654 Ų buried · 11 hydrogen bonds · protein-protein
- B–Q · 623 Ų buried · 9 hydrogen bonds · protein-protein
- P–B · 29 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3UP0 · Nuclear receptor DAF-12 from hookworm Ancylostoma ceylanicum in complex with… · 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 Q15596
- Elsewhere: RCSB PDB 3UP0 · PDBe 3UP0 · UniProt Q15596
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.