MolNFT v1 · #168226 · protein
Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma T agonists
6W9H · Nuclear receptor ror-gamma, steroid receptor coactivator 1…: “Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma T agonists”. X-ray diffraction, 1 ligand (TKJ), 3 pockets (best druggability…
- PDB
- 6W9H
- Type
- protein
- Length
- 253 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nuclear receptor ror-gamma, steroid receptor coactivator 1 fusion
- EC
- 2.3.1.48
- UniProt
- P51449, Q15788
- Ligands
- TKJ
- Pockets
- 3 · 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, steroid receptor coactivator 1 fusion (EC 2.3.1.48) | protein | 253 | 71% helix, 4% strand | P51449, Q15788 |
Ligands and binding sites
- TKJ · 4-{(3R)-3-[4-(benzyloxy)phenyl]-3-[(4-fluorophenyl) sulfonyl]pyrrolidine-1-carbonyl}-1lambda~6~-thiane-1, 1-dione · ligand · 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 | 420 | 0.83 | 0.90 | 34 | TKJ |
| 2 | 144 | 0.45 | 0.76 | 19 | empty |
| 3 | 72 | 0.42 | 0.80 | 14 | empty |
Compared structures
- 6W9H · Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma T… · 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
- Every structure of UniProt Q15788
- Elsewhere: RCSB PDB 6W9H · PDBe 6W9H · UniProt P51449 · UniProt Q15788
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