MolNFT v1 · #182732 · protein
Human pxr lbd bound to compound 2
7N2A · Isoform 1C of nuclear receptor subfamily 1 group I member 2: “Human pxr lbd bound to compound 2”. X-ray diffraction, 1 ligand (07F), 3 pockets (best druggability 0.84). MolNFT v1 #182732 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7N2A
- Type
- protein
- Length
- 273 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isoform 1C of nuclear receptor subfamily 1 group I member 2
- UniProt
- O75469
- Ligands
- 07F
- Pockets
- 3 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 60% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Isoform 1C of nuclear receptor subfamily 1 group I member 2 | protein | 273 | 60% helix, 8% strand | O75469 |
Ligands and binding sites
- 07F · 5-benzyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4(3H)-one · ligand · 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 | 471 | 0.84 | 0.90 | 45 | 07F |
| 2 | 90 | 0.37 | 0.76 | 17 | empty |
| 3 | 68 | 0.33 | 0.76 | 18 | empty |
Compared structures
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 7N2A · PDBe 7N2A · UniProt O75469
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