MolNFT v1 · #173367 · protein
Crystal structure of the hpxr-lbd in complex with pretilachlor
7AXF · Nuclear receptor subfamily 1 group I member 2: “Crystal structure of the hpxr-lbd in complex with pretilachlor”. X-ray diffraction, 1 ligand (S6T), 2 pockets (best druggability 0.84). MolNFT v1 #173367 on GenesisL1: 3D structure…
- PDB
- 7AXF
- Type
- protein
- Length
- 264 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
- S6T
- Pockets
- 2 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 57% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nuclear receptor subfamily 1 group I member 2 | protein | 264 | 57% helix, 8% strand | O75469 |
Ligands and binding sites
- S6T · pretilachlor · ligand · 2 copies · chains A
- IPA · Isopropyl alcohol · additive · 5 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 648 | 0.84 | 0.88 | 51 | S6T |
| 2 | 83 | 0.37 | 0.76 | 20 | IPA |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 7AXF · Crystal structure of the hPXR-LBD in complex with pretilachlor · 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 0.97
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 O75469
- Elsewhere: RCSB PDB 7AXF · PDBe 7AXF · UniProt O75469
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