MolNFT v1 · #5951 · protein
Enantiomer discrimination illustrated by crystal structures of the human retinoic acid receptor hrargamma ligand binding domain: the complex with the inactive S-enantiomer BMS270395.
1EXX · Retinoic acid receptor gamma-2: “Enantiomer discrimination illustrated by crystal structures of the human retinoic acid receptor hrargamma…”. X-ray diffraction, 2 ligands (961, LMU), 4 pockets (best druggability 0.81). MolNFT v1…
- PDB
- 1EXX
- Type
- protein
- Length
- 236 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Retinoic acid receptor gamma-2
- UniProt
- P22932
- Ligands
- 961, LMU
- Pockets
- 4 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 67% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Retinoic acid receptor gamma-2 | protein | 236 | 67% helix, 4% strand | P22932 |
Ligands and binding sites
- 961 · 3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid · ligand · chains A
- LMU · Dodecyl-alpha-D-maltoside · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 208 | 0.81 | 0.94 | 34 | 961 |
| 2 | 118 | 0.50 | 0.80 | 19 | empty |
| 3 | 84 | 0.40 | 0.77 | 15 | empty |
| 4 | 66 | 0.29 | 0.74 | 12 | empty |
Compared structures
- 1EXX · Enantiomer discrimination illustrated by crystal structures of the human retinoic acid… · the same entry in another collection · chain A against A, TM-score 1.00
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 P22932
- Elsewhere: RCSB PDB 1EXX · PDBe 1EXX · UniProt P22932
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