MolNFT v1 · #163500 · protein
Lxrbeta ligand binding domain in comlpex with small molecule inhibitors
6S4T · Oxysterols receptor lxr-beta: “Lxrbeta ligand binding domain in comlpex with small molecule inhibitors”. X-ray diffraction, 1 ligand (KVB), 3 pockets (best druggability 0.84). MolNFT v1 #163500 on GenesisL1: 3D structure, binding…
- PDB
- 6S4T
- Type
- protein
- Length
- 238 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Oxysterols receptor lxr-beta
- UniProt
- P55055
- Ligands
- KVB
- Pockets
- 3 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 68% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Oxysterols receptor lxr-beta | protein | 238 | 68% helix, 4% strand | P55055 |
Ligands and binding sites
- KVB · 2-[4-[[3-[3-(phenylmethyl)-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]ethanoic acid · ligand · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 385 | 0.84 | 0.92 | 47 | KVB |
| 2 | 64 | 0.34 | 0.76 | 14 | KVB |
| 3 | 80 | 0.32 | 0.74 | 18 | empty |
Compared structures
- 6S4T · LXRbeta ligand binding domain in comlpex with small molecule inhibitors · the same entry in another collection · chain A against A, TM-score 1.00
- P55055 · AlphaFold monomer V2.0 prediction for oxysterols receptor lxr-beta (P55055) · a predicted model of the same protein · chain A 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 P55055
- Elsewhere: RCSB PDB 6S4T · PDBe 6S4T · UniProt P55055
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