MolNFT v1 · #137502 · protein
X-ray co-structure of nuclear receptor ror-gammat ligand binding domain with a inverse agonist and SRC2 peptide
5VQL · Nuclear receptor ror-gamma, SRC2 chimera: “X-ray co-structure of nuclear receptor ror-gammat ligand binding domain with a inverse agonist and SRC2…”. X-ray diffraction, 2 ligands (9GS, NA), 4 pockets (best druggability 0.83). MolNFT…
- PDB
- 5VQL
- Type
- protein
- Length
- 259 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nuclear receptor ror-gamma, SRC2 chimera
- UniProt
- P51449
- Ligands
- 9GS, NA
- Pockets
- 4 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 71% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nuclear receptor ror-gamma, SRC2 chimera | protein | 259 | 71% helix, 4% strand | P51449 |
Ligands and binding sites
- 9GS · 5'-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-{[4-(ethylsulfonyl)phenyl]methyl}spiro[cyclopentane-1,3'-pyrrolo[3,2-b]pyridine]-1'(2'H)-carboxamide · ligand · chains A
- NA · Sodium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 382 | 0.83 | 0.91 | 34 | 9GS |
| 2 | 85 | 0.41 | 0.78 | 15 | empty |
| 3 | 60 | 0.37 | 0.79 | 14 | NA |
| 4 | 84 | 0.32 | 0.73 | 17 | empty |
Compared structures
- 5VQL · X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with a inverse… · 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 5VQL · PDBe 5VQL · UniProt P51449
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