Research workbench
ROR(GAMMA)T ligand binding domain in complex with desmosterol and allosteric ligand FM26
Analyse ROR(GAMMA)T ligand binding domain in complex with desmosterol and allosteric… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6T4J
- Type
- protein
- Length
- 241 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nuclear receptor ror-gamma
- UniProt
- P51449
- Ligands
- MHQ, L3E
- Pockets
- 4 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 71% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nuclear receptor ror-gamma | protein | 241 | 71% helix, 4% strand | P51449 |
Ligands and binding sites
- MHQ · desmosterol · ligand · chains A
- L3E · 4-[(~{E})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid · ligand · chains A
- GOL · Glycerol · additive · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 397 | 0.83 | 0.91 | 36 | MHQ, GOL |
| 2 | 267 | 0.78 | 0.89 | 35 | L3E |
| 3 | 129 | 0.46 | 0.77 | 18 | empty |
| 4 | 61 | 0.37 | 0.79 | 14 | empty |
Compared structures
- 6T4J · ROR(gamma)t ligand binding domain in complex with desmosterol and allosteric ligand FM26 · 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 P51449
- Elsewhere: RCSB PDB 6T4J · PDBe 6T4J · UniProt P51449
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