MolNFT v1 · #139215 · protein
Crystal structure of the mutant human ror gamma ligand binding domain with ursolic acid.
5X8S · Nuclear receptor ror-gamma: “Crystal structure of the mutant human ror gamma ligand binding domain with ursolic acid.”. X-ray diffraction, 1 ligand (6Q5), 10 pockets (best druggability 0.82). MolNFT v1 #139215 on GenesisL1: 3D…
- 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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