MolNFT v1 · #160060 · protein
Crystal structure of rar-related orphan receptor C (nhis-RORGT(244- 487)-L6-SRC1(678-692)) in complex with a phenyl (3-phenylpyrrolidin- 3-YL)SULFONE inhibitor
6P9F · Nuclear receptor ror-gamma, nuclear receptor coactivator 1…: “Crystal structure of rar-related orphan receptor C (nhis-RORGT(244- 487)-L6-SRC1(678-692)) in complex with a…”. X-ray diffraction, 1 ligand (O5A), 8 pockets (best…
- PDB
- 6P9F
- Type
- protein
- Length
- 515 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nuclear receptor ror-gamma, nuclear receptor coactivator 1 chimera
- EC
- 2.3.1.48
- UniProt
- P51449, Q15788
- Ligands
- O5A
- Pockets
- 8 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 72% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nuclear receptor ror-gamma, nuclear receptor coactivator 1 chimera (EC 2.3.1.48) | protein | 258 | 72% helix, 4% strand | P51449, Q15788 |
| B | Nuclear receptor ror-gamma, nuclear receptor coactivator 1 chimera (EC 2.3.1.48) | protein | 257 | 73% helix, 4% strand | P51449, Q15788 |
Ligands and binding sites
- O5A · Trans-4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1, 2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrrolidine-1-carbonyl}cyclohexane-1-carboxylic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 401 | 0.84 | 0.91 | 36 | O5A |
| 2 | 399 | 0.83 | 0.91 | 35 | O5A |
| 3 | 173 | 0.49 | 0.77 | 19 | empty |
| 4 | 161 | 0.47 | 0.76 | 18 | empty |
| 5 | 162 | 0.43 | 0.75 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 92 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6P9F · Crystal structure of RAR-related orphan receptor C (NHIS-RORGT(244-487)-L6-SRC1(678-692))… · 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 6P9F · PDBe 6P9F · UniProt P51449 · UniProt Q15788
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.