MolNFT v1 · #98113 · protein
Crystal structure of TR3 lbd L449W mutant
4KZJ · Nuclear receptor subfamily 4 group a member 1: “Crystal structure of TR3 lbd L449W mutant”. X-ray diffraction, 7 pockets (best druggability 0.57). MolNFT v1 #98113 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4KZJ
- Type
- protein
- Length
- 460 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
- 7 · best druggability 0.57
Structure
x-ray diffraction · 2 distinct chains · 70% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Nuclear receptor subfamily 4 group a member 1 | protein | 229 | 70% helix, 4% strand | P22736 |
| A | Nuclear receptor subfamily 4 group a member 1 | protein | 231 | 70% helix, 4% 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
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 292 | 0.57 | 0.77 | 28 | empty |
| 2 | 210 | 0.55 | 0.78 | 26 | GOL |
| 3 | 155 | 0.50 | 0.78 | 22 | empty |
| 4 | 144 | 0.47 | 0.77 | 20 | empty |
| 5 | 105 | 0.42 | 0.77 | 17 | GOL |
Interfaces
1 interface between chains.
- B–A · 591 Ų buried · 0 hydrogen bonds · protein-protein
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 P22736
- Elsewhere: RCSB PDB 4KZJ · PDBe 4KZJ · UniProt P22736
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