MolNFT v1 · #159491 · protein
Human lrh-1 bound to the agonist 6N and a fragment of the TIF2 coregulator
6OQY · Nuclear receptor subfamily 5 group a member 2: “Human lrh-1 bound to the agonist 6N and a fragment of the TIF2 coregulator”. X-ray diffraction, 1 ligand (N2J), 5 pockets (best druggability 0.85). MolNFT v1 #159491 on GenesisL1: 3D…
- PDB
- 6OQY
- Type
- protein
- Length
- 248 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nuclear receptor subfamily 5 group a member 2; Nuclear receptor coactivator 2
- UniProt
- O00482, Q15596
- Ligands
- N2J
- Pockets
- 5 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 72% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nuclear receptor subfamily 5 group a member 2 | protein | 237 | 72% helix, 3% strand | O00482 |
| C | Nuclear receptor coactivator 2 | protein | 11 | 73% helix, 0% strand | Q15596 |
Ligands and binding sites
- N2J · N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]sulfuric diamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 388 | 0.85 | 0.93 | 33 | N2J |
| 2 | 116 | 0.68 | 0.90 | 20 | empty |
| 3 | 55 | 0.34 | 0.78 | 15 | empty |
| 4 | 56 | 0.33 | 0.77 | 14 | empty |
| 5 | 72 | 0.32 | 0.74 | 12 | empty |
Interfaces
1 interface between chains.
- A–C · 599 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 6OQY · Human LRH-1 bound to the agonist 6N and a fragment of the Tif2 coregulator · the same entry in another collection · chain A against A, TM-score 1.00
- O00482 · AlphaFold monomer V2.0 prediction for nuclear receptor subfamily 5 group a member 2… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 O00482
- Every structure of UniProt Q15596
- Elsewhere: RCSB PDB 6OQY · PDBe 6OQY · UniProt O00482 · UniProt Q15596
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