MolNFT v1 · #155171 · protein
Crystal structure analysis of the csn-B-bounded NUR77 ligand binding domain
6KZ5 · Nuclear receptor subfamily 4 group a member 1: “Crystal structure analysis of the csn-B-bounded NUR77 ligand binding domain”. X-ray diffraction, 1 ligand (E4L), 7 pockets (best druggability 0.64). MolNFT v1 #155171 on GenesisL1: 3D…
- PDB
- 6KZ5
- Type
- protein
- Length
- 465 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
- Ligands
- E4L
- Pockets
- 7 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 64% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nuclear receptor subfamily 4 group a member 1 | protein | 234 | 64% helix, 4% strand | P22736 |
| B | Nuclear receptor subfamily 4 group a member 1 | protein | 231 | 64% helix, 4% strand | P22736 |
Ligands and binding sites
- E4L · ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 172 | 0.64 | 0.85 | 26 | empty |
| 2 | 281 | 0.55 | 0.76 | 30 | E4L |
| 3 | 143 | 0.52 | 0.79 | 23 | empty |
| 4 | 137 | 0.50 | 0.79 | 21 | empty |
| 5 | 83 | 0.46 | 0.81 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 605 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6KZ5 · Crystal Structure Analysis of the Csn-B-bounded NUR77 Ligand binding Domain · the same entry in another collection · chain A against A, 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 0.98
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 6KZ5 · PDBe 6KZ5 · UniProt P22736
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