MolNFT v1 · #173369 · protein
Crystal structure of the hpxr-lbd in complex with alpha-zearalanol
7AXH · Nuclear receptor subfamily 1 group I member 2: “Crystal structure of the hpxr-lbd in complex with alpha-zearalanol”. X-ray diffraction, 1 ligand (27J), 3 pockets (best druggability 0.86). MolNFT v1 #173369 on GenesisL1: 3D…
- PDB
- 7AXH
- Type
- protein
- Length
- 272 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nuclear receptor subfamily 1 group I member 2
- UniProt
- O75469
- Ligands
- 27J
- Pockets
- 3 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 60% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nuclear receptor subfamily 1 group I member 2 | protein | 272 | 60% helix, 8% strand | O75469 |
Ligands and binding sites
- 27J · alpha-zearalanol · ligand · chains A
- IPA · Isopropyl alcohol · additive · 2 copies · chains A
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 625 | 0.86 | 0.90 | 53 | IPA, 27J |
| 2 | 92 | 0.37 | 0.75 | 17 | empty |
| 3 | 55 | 0.33 | 0.78 | 11 | empty |
Compared structures
- 7AXH · Crystal structure of the hPXR-LBD in complex with alpha-zearalanol · the same entry in another collection · chain A against A, TM-score 1.00
- O75469 · AlphaFold monomer V2.0 prediction for nuclear receptor subfamily 1 group I member 2… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 O75469
- Elsewhere: RCSB PDB 7AXH · PDBe 7AXH · UniProt O75469
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