MolNFT v1 · #86479 · protein
Ligand binding domain human hepatocyte nuclear factor 4ALPHA: apo form
4B7W · Hepatocyte nuclear factor 4-alpha: “Ligand binding domain human hepatocyte nuclear factor 4ALPHA: apo form”. X-ray diffraction, 17 pockets (best druggability 0.83). MolNFT v1 #86479 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4B7W
- Type
- protein
- Length
- 804 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hepatocyte nuclear factor 4-alpha
- UniProt
- P41235
- Pockets
- 17 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 60% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Hepatocyte nuclear factor 4-alpha | protein | 202 | 56% helix, 2% strand | P41235 |
| B, D | Hepatocyte nuclear factor 4-alpha | protein | 200 | 65% helix, 2% strand | P41235 |
Pockets
17 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 333 | 0.83 | 0.93 | 38 | empty |
| 2 | 334 | 0.83 | 0.92 | 40 | empty |
| 3 | 256 | 0.77 | 0.89 | 29 | empty |
| 4 | 253 | 0.76 | 0.88 | 31 | empty |
| 5 | 389 | 0.74 | 0.84 | 40 | empty |
Interfaces
5 interfaces between chains.
- C–D · 1268 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 1232 Ų buried · 14 hydrogen bonds · protein-protein
- A–D · 500 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 499 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 451 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4B7W · Ligand binding domain human hepatocyte nuclear factor 4alpha: Apo form · 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 0.98
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 4B7W · PDBe 4B7W · UniProt P41235
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