Research workbench
Crystal structure of the mutant human ror gamma ligand binding domain with ursolic acid.
Analyse Crystal structure of the mutant human ror gamma ligand binding domain with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5X8S
- Type
- protein
- Length
- 467 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nuclear receptor ror-gamma
- UniProt
- P51449
- Ligands
- 6Q5
- Pockets
- 10 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 69% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nuclear receptor ror-gamma | protein | 235 | 68% helix, 5% strand | P51449 |
| B | Nuclear receptor ror-gamma | protein | 232 | 71% helix, 5% strand | P51449 |
Ligands and binding sites
- 6Q5 · Ursolic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 353 | 0.82 | 0.90 | 27 | 6Q5 |
| 2 | 364 | 0.81 | 0.90 | 28 | 6Q5 |
| 3 | 239 | 0.56 | 0.78 | 21 | empty |
| 4 | 308 | 0.55 | 0.76 | 40 | empty |
| 5 | 148 | 0.55 | 0.81 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1184 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 5X8S · Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With Ursolic acid. · 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 5X8S · PDBe 5X8S · UniProt P51449
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