MolNFT v1 · #179204 · protein
Human liver receptor homolog-1 in complex with 9CHOP and a fragment of TIF2
7JYE · Nuclear receptor subfamily 5 group a member 2: “Human liver receptor homolog-1 in complex with 9CHOP and a fragment of TIF2”. X-ray diffraction, 1 ligand (VQY), 4 pockets (best druggability 0.84). MolNFT v1 #179204 on GenesisL1: 3D…
- PDB
- 7JYE
- Type
- protein
- Length
- 252 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
- VQY
- Pockets
- 4 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 70% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nuclear receptor subfamily 5 group a member 2 | protein | 242 | 70% helix, 2% strand | O00482 |
| C | Nuclear receptor coactivator 2 | protein | 10 | 60% helix, 0% strand | Q15596 |
Ligands and binding sites
- VQY · 9-[(3~{a}~{R},6~{R},6~{a}~{R})-6-oxidanyl-3-phenyl-3~{a}-(1-phenylethenyl)-4,5,6,6~{a}-tetrahydro-1~{H}-pentalen-2-yl]nonyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 500 | 0.84 | 0.90 | 41 | VQY |
| 2 | 153 | 0.65 | 0.86 | 23 | empty |
| 3 | 94 | 0.38 | 0.76 | 15 | empty |
| 4 | 61 | 0.33 | 0.76 | 13 | empty |
Interfaces
1 interface between chains.
- A–C · 553 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 7JYE · Human Liver Receptor Homolog-1 in Complex with 9ChoP and a Fragment of Tif2 · 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 0.97
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 7JYE · PDBe 7JYE · UniProt O00482 · UniProt Q15596
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