Research workbench
ROR(GAMMA)T ligand binding domain in complex with 20-alpha- hydroxycholesterol and allosteric ligand glenmark
Analyse ROR(GAMMA)T ligand binding domain in complex with 20-alpha- hydroxycholesterol… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6T4W
- Type
- protein
- Length
- 240 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nuclear receptor ror-gamma
- UniProt
- P51449
- Ligands
- MJE, HCD
- Pockets
- 4 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 72% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nuclear receptor ror-gamma | protein | 240 | 72% helix, 4% strand | P51449 |
Ligands and binding sites
- MJE · 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid · ligand · chains A
- HCD · (3alpha,8alpha)-cholest-5-ene-3,20-diol · ligand · chains A
- GOL · Glycerol · additive · 2 copies · 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 | 392 | 0.83 | 0.91 | 33 | GOL, HCD |
| 2 | 243 | 0.77 | 0.90 | 34 | MJE |
| 3 | 141 | 0.47 | 0.77 | 18 | empty |
| 4 | 85 | 0.39 | 0.78 | 16 | empty |
Compared structures
- 6T4W · ROR(gamma)t ligand binding domain in complex with 20-alpha-hydroxycholesterol and… · 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 6T4W · PDBe 6T4W · UniProt P51449
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