Research workbench
Crystal structure analysis of the ror GAMMA(C455E)
Analyse Crystal structure analysis of the ror GAMMA(C455E) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6J1L
- Type
- protein
- Length
- 663 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nuclear receptor ror-gamma
- UniProt
- P51449
- Ligands
- B6L
- Pockets
- 13 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 71% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Nuclear receptor ror-gamma | protein | 222 | 72% helix, 5% strand | P51449 |
| C | Nuclear receptor ror-gamma | protein | 219 | 71% helix, 5% strand | P51449 |
Ligands and binding sites
- B6L · 2-[4-(ethylsulfonyl)phenyl]-N-[2'-fluoro-4'-(1,1,1,3,3, 3-hexafluoro-2-hydroxypropan-2-yl)[1,1'-biphenyl]-4-yl]acetamide · ligand · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 370 | 0.83 | 0.91 | 39 | B6L |
| 2 | 359 | 0.83 | 0.91 | 36 | B6L |
| 3 | 582 | 0.80 | 0.85 | 50 | B6L |
| 4 | 329 | 0.69 | 0.83 | 32 | empty |
| 5 | 293 | 0.60 | 0.78 | 29 | empty |
Interfaces
2 interfaces between chains.
- A–B · 600 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 597 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6J1L · Crystal Structure Analysis of the ROR gamma(C455E) · 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 6J1L · PDBe 6J1L · UniProt P51449
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