MolNFT v1 · #113980 · protein
Crystal structure of the human ror gamma ligand binding domain with 3G
5AYG · Nuclear receptor ror-gamma: “Crystal structure of the human ror gamma ligand binding domain with 3G”. X-ray diffraction, 1 ligand (4LQ), 7 pockets (best druggability 0.80). MolNFT v1 #113980 on GenesisL1: 3D structure, binding sites…
- 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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