Research workbench
Crystal structure of ppargamma ligand binding domain in complex with tetrachloro-bisphenol a (tcbpa)
Analyse Crystal structure of ppargamma ligand binding domain in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3OSI
- Type
- protein
- Length
- 505 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma
- UniProt
- P37231
- Ligands
- XDH
- Pockets
- 7 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 70% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor gamma | protein | 260 | 69% helix, 5% strand | P37231 |
| B | Peroxisome proliferator-activated receptor gamma | protein | 245 | 70% helix, 5% strand | P37231 |
Ligands and binding sites
- XDH · 4,4'-propane-2,2-diylbis(2,6-dichlorophenol) · ligand · chains A
- PGO · S-1,2-propanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 405 | 0.76 | 0.85 | 44 | XDH |
| 2 | 571 | 0.74 | 0.81 | 66 | empty |
| 3 | 561 | 0.67 | 0.77 | 56 | empty |
| 4 | 105 | 0.52 | 0.83 | 21 | empty |
| 5 | 83 | 0.44 | 0.80 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 895 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 3OSI · Crystal structure of PPARgamma ligand binding domain in complex with… · 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 P37231
- Elsewhere: RCSB PDB 3OSI · PDBe 3OSI · UniProt P37231
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