Research workbench
Crystal structure of the human ror gamma ligand binding domain with 3G
Analyse Crystal structure of the human ror gamma ligand binding domain with 3G in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5AYG
- Type
- protein
- Length
- 436 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nuclear receptor ror-gamma
- UniProt
- P51449
- Ligands
- 4LQ
- Pockets
- 7 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 70% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nuclear receptor ror-gamma | protein | 217 | 71% helix, 5% strand | P51449 |
| B | Nuclear receptor ror-gamma | protein | 219 | 70% helix, 5% strand | P51449 |
Ligands and binding sites
- 4LQ · 3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-yl-propanamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 439 | 0.80 | 0.88 | 39 | 4LQ |
| 2 | 454 | 0.78 | 0.86 | 46 | 4LQ |
| 3 | 214 | 0.53 | 0.77 | 20 | empty |
| 4 | 87 | 0.49 | 0.82 | 17 | empty |
| 5 | 72 | 0.45 | 0.82 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 117 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 5AYG · Crystal Structure of the Human ROR gamma Ligand Binding Domain With 3g · 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 5AYG · PDBe 5AYG · UniProt P51449
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