MolNFT v1 · #181426 · protein
Crystal structure of rar-related orphan receptor C (nhis-RORGT(244- 487)-L6-SRC1(678-692) in complex with an azatricyclic rorgt inverse agonist
7LUK · Nuclear receptor ror-gamma: “Crystal structure of rar-related orphan receptor C (nhis-RORGT(244- 487)-L6-SRC1(678-692) in complex with an…”. X-ray diffraction, 1 ligand (YDY), 3 pockets (best druggability 0.84). MolNFT v1 #181426 on…
- PDB
- 7LUK
- Type
- protein
- Length
- 253 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nuclear receptor ror-gamma
- UniProt
- P51449
- Ligands
- YDY
- Pockets
- 3 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 70% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nuclear receptor ror-gamma | protein | 253 | 70% helix, 4% strand | P51449 |
Ligands and binding sites
- YDY · (2S)-N-[(6aS,7R,9aS)-9a-[(4-fluorophenyl)sulfonyl]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6,6a,7,8,9,9a-hexahydro-5H-cyclopenta[f]quinolin-7-yl]-2-hydroxy-2-methyl-3-(methylsulfonyl)propanamide · 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 | 466 | 0.84 | 0.90 | 36 | YDY |
| 2 | 137 | 0.46 | 0.77 | 26 | empty |
| 3 | 83 | 0.37 | 0.76 | 14 | empty |
Compared structures
- 7LUK · 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
- Elsewhere: RCSB PDB 7LUK · PDBe 7LUK · UniProt P51449
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