Research workbench
Crystal structure analysis of the NUR77 ligand binding domain, L437W, D594E mutant
Analyse Crystal structure analysis of the NUR77 ligand binding domain, L437W, D594E… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4RZE
- Type
- protein
- Length
- 461 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nuclear receptor subfamily 4 group a member 1
- UniProt
- P22736
- Pockets
- 8 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 65% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Nuclear receptor subfamily 4 group a member 1 | protein | 229 | 66% helix, 4% strand | P22736 |
| A | Nuclear receptor subfamily 4 group a member 1 | protein | 232 | 64% helix, 3% strand | P22736 |
Ligands and binding sites
- GOL · Glycerol · additive · 3 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 151 | 0.62 | 0.84 | 18 | GOL |
| 2 | 231 | 0.52 | 0.76 | 24 | empty |
| 3 | 158 | 0.47 | 0.77 | 21 | empty |
| 4 | 135 | 0.45 | 0.77 | 22 | empty |
| 5 | 88 | 0.41 | 0.78 | 17 | GOL |
Interfaces
1 interface between chains.
- B–A · 552 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4RZE · Crystal Structure Analysis of the NUR77 Ligand Binding Domain, L437W,D594E mutant · the same entry in another collection · chain B against B, TM-score 1.00
- P22736 · AlphaFold monomer V2.0 prediction for nuclear receptor subfamily 4 group a member 1… · a predicted model of the same protein · chain B 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 P22736
- Elsewhere: RCSB PDB 4RZE · PDBe 4RZE · UniProt P22736
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.