Research workbench
Crystal structure of human ERRg LBD in complex with bisphenol-B
Analyse Crystal structure of human ERRg LBD in complex with bisphenol-B in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6I61
- Type
- protein
- Length
- 224 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.65
- Source
- Homo sapiens
- Molecule
- Estrogen-related receptor gamma
- UniProt
- P62508
- Ligands
- H3W
- Pockets
- 2 · best druggability 0.80
Structure
x-ray diffraction · resolution 1.65 · 1 distinct chain · 68% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Estrogen-related receptor gamma | protein | 224 | 68% helix, 3% strand | P62508 |
Ligands and binding sites
- H3W · bisphenol-B · ligand · chains A
- GOL · Glycerol · additive · 5 copies · chains A
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 116 | 0.80 | 0.98 | 19 | H3W |
| 2 | 145 | 0.62 | 0.85 | 23 | GOL |
Compared structures
- 6I61 · Crystal structure of human errg lbd in complex with bisphenol-B · the same entry in another collection · chain A against A, TM-score 1.00
- P62508 · AlphaFold monomer V2.0 prediction for estrogen-related receptor gamma (P62508) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P62508
- Elsewhere: RCSB PDB 6I61 · PDBe 6I61 · UniProt P62508
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