Research workbench
Crystal structure of HNF4A lbd in complex with the ligand and the coactivator pgc-1A fragment
Analyse Crystal structure of HNF4A lbd in complex with the ligand and the coactivator… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3FS1
- Type
- protein
- Length
- 239 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hepatocyte nuclear factor 4-alpha; Ppargamma coactivator-1A (pgc-1A)
- UniProt
- P41235
- Ligands
- MYR
- Pockets
- 2 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 63% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hepatocyte nuclear factor 4-alpha | protein | 230 | 65% helix, 3% strand | P41235 |
| B | Ppargamma coactivator-1A (pgc-1A) | protein | 9 | 0% helix, 0% strand | — |
Ligands and binding sites
- MYR · Myristic acid · ligand · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 441 | 0.80 | 0.87 | 53 | MYR |
| 2 | 78 | 0.36 | 0.76 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 399 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 3FS1 · Crystal structure of HNF4a LBD in complex with the ligand and the coactivator PGC-1a… · the same entry in another collection · chain A against A, TM-score 1.00
- P41235 · AlphaFold monomer V2.0 prediction for hepatocyte nuclear factor 4-alpha (P41235) · 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 P41235
- Elsewhere: RCSB PDB 3FS1 · PDBe 3FS1 · UniProt P41235
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