Research workbench
Rorgamma (263-509) complexed with GSK2435341A and SRC2
Analyse Rorgamma (263-509) complexed with GSK2435341A and SRC2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4XT9
- Type
- protein
- Length
- 251 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nuclear receptor ror-gamma; Lys-ile-leu-his-arg-leu-leu-gln
- UniProt
- P51449
- Ligands
- 43V, SO4
- Pockets
- 4 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 72% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nuclear receptor ror-gamma | protein | 243 | 72% helix, 4% strand | P51449 |
| B | Lys-ile-leu-his-arg-leu-leu-gln | protein | 8 | 75% helix, 0% strand | — |
Ligands and binding sites
- 43V · N-[4-(2,5-dichlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · 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 | 362 | 0.83 | 0.91 | 33 | 43V |
| 2 | 122 | 0.49 | 0.80 | 18 | empty |
| 3 | 70 | 0.40 | 0.79 | 14 | empty |
| 4 | 51 | 0.27 | 0.74 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 466 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 4XT9 · RORgamma (263-509) complexed with GSK2435341A and SRC2 · 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 4XT9 · PDBe 4XT9 · UniProt P51449
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.