Research workbench
Crystal structure of rar-related orphan receptor C (nhis-RORGT(244- 487)-L6-SRC1(678-692)) in complex with a tricyclic sulfone inverse agonist
Analyse Crystal structure of rar-related orphan receptor C (nhis-RORGT(244… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7JYM
- Type
- protein
- Length
- 253 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nuclear receptor ror-gamma, nuclear receptor coactivator 1
- UniProt
- P51449, Q15788
- Ligands
- Z8I
- Pockets
- 4 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 70% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nuclear receptor ror-gamma, nuclear receptor coactivator 1 | protein | 253 | 70% helix, 4% strand | P51449, Q15788 |
Ligands and binding sites
- Z8I · (3R,5S)-3-fluoro-5-[(3ar,9br)-9B-[(4-fluorophenyl) sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1, 2,3A,4,5,9B-hexahydro-3H-benzo[e]indole-3-carbonyl]-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one · ligand · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 491 | 0.83 | 0.89 | 37 | Z8I |
| 2 | 105 | 0.44 | 0.78 | 20 | empty |
| 3 | 79 | 0.40 | 0.78 | 15 | empty |
| 4 | 52 | 0.27 | 0.74 | 13 | empty |
Compared structures
- 7JYM · 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 7JYM · PDBe 7JYM · UniProt P51449 · UniProt Q15788
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