Research workbench
X-ray crystal structure of ANCGR2 in complex with dexamethasone
Analyse X-ray crystal structure of ANCGR2 in complex with dexamethasone in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3GN8
- Type
- protein
- Length
- 521 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucocorticoid receptor 2; Nuclear receptor coactivator 2
- UniProt
- Q15596
- Ligands
- DEX
- Pockets
- 6 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 68% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glucocorticoid receptor 2 | protein | 249 | 67% helix, 5% strand | — |
| C | Nuclear receptor coactivator 2 | protein | 11 | 73% helix, 0% strand | Q15596 |
| E | Nuclear receptor coactivator 2 | protein | 12 | 67% helix, 0% strand | Q15596 |
Ligands and binding sites
- DEX · Dexamethasone · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 182 | 0.83 | 0.97 | 22 | DEX |
| 2 | 195 | 0.82 | 0.96 | 27 | DEX |
| 3 | 606 | 0.71 | 0.79 | 54 | empty |
| 4 | 154 | 0.62 | 0.85 | 22 | empty |
| 5 | 140 | 0.62 | 0.85 | 18 | empty |
Interfaces
3 interfaces between chains.
- B–E · 620 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 601 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 484 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 3GN8 · X-ray Crystal Structure of AncGR2 in Complex with Dexamethasone · the same entry in another collection · chain C against C, 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 Q15596
- Elsewhere: RCSB PDB 3GN8 · PDBe 3GN8 · UniProt Q15596
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