Research workbench
Crystal structure of retinoic acid receptor-related orphan receptor (ror) gamma ligand binding domain complex with SBI0655870
Analyse Crystal structure of retinoic acid receptor-related orphan receptor (ror) gamma… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5K74
- Type
- protein
- Length
- 454 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nuclear receptor ror-gamma
- UniProt
- P51449
- Ligands
- 6QW
- Pockets
- 4 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 71% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Nuclear receptor ror-gamma | protein | 227 | 71% helix, 4% strand | P51449 |
Ligands and binding sites
- 6QW · ~{N}-[[3-methyl-4-(4-methylsulfonylphenyl) phenyl]methyl]-~{N}-(2-methylpropyl)-1-phenyl-methanesulfonamide · ligand · 2 copies · chains A, B
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 | 383 | 0.82 | 0.90 | 37 | 6QW |
| 2 | 949 | 0.79 | 0.81 | 88 | 6QW |
| 3 | 123 | 0.48 | 0.79 | 19 | empty |
| 4 | 91 | 0.41 | 0.78 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 97 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 5K74 · Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand… · 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 5K74 · PDBe 5K74 · UniProt P51449
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.