MolNFT v1 · #76654 · protein + DNA
Structure of a domain-swapped FOXP3 dimer
3QRF · Nuclear factor of activated T-cells, cytoplasmic 2: “Structure of a domain-swapped FOXP3 dimer”. X-ray diffraction, 1 ligand (MG), 17 pockets (best druggability 0.71). MolNFT v1 #76654 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3QRF
- Type
- protein + DNA
- Length
- 984 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nuclear factor of activated T-cells, cytoplasmic 2; Forkhead box protein P3; Human HARRE2…
- UniProt
- Q13469, Q9BZS1
- Ligands
- MG
- Pockets
- 17 · best druggability 0.71
Structure
x-ray diffraction · 4 distinct chains · 15% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| N, M | Nuclear factor of activated T-cells, cytoplasmic 2 | protein | 286 | 5% helix, 35% strand | Q13469 |
| F, G, H, I | Forkhead box protein P3 | protein | 82 | 49% helix, 11% strand | Q9BZS1 |
| C, A | Human HARRE2 DNA (plus strand) | dna | 21 | — | — |
| D, B | Human HARRE2 DNA (minus strand) | dna | 21 | — | — |
Ligands and binding sites
- MG · Magnesium ion · metal · 4 copies · chains F, G, H, I
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 152 | 0.71 | 0.90 | 33 | empty |
| 2 | 721 | 0.68 | 0.76 | 82 | empty |
| 3 | 659 | 0.66 | 0.75 | 51 | empty |
| 4 | 481 | 0.65 | 0.77 | 46 | empty |
| 5 | 232 | 0.64 | 0.83 | 42 | empty |
Interfaces
21 interfaces between chains.
- H–I · 2832 Ų buried · 19 hydrogen bonds · protein-protein
- F–G · 2824 Ų buried · 20 hydrogen bonds · protein-protein
- C–D · 850 Ų buried · 61 hydrogen bonds · nucleic-nucleic
- A–B · 848 Ų buried · 61 hydrogen bonds · nucleic-nucleic
- N–M · 829 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 3QRF · Structure of a domain-swapped FOXP3 dimer · the same entry in another collection · chain B against B, TM-score 1.00
- Q13469 · AlphaFold monomer V2.0 prediction for nuclear factor of activated T-cells, cytoplasmic 2… · a predicted model of the same protein · chain N against A, TM-score 0.66
- Q9BZS1 · AlphaFold monomer V2.0 prediction for forkhead box protein P3 (Q9BZS1) · a predicted model of the same protein · chain H against A, TM-score 0.53
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 Q13469
- Every structure of UniProt Q9BZS1
- Elsewhere: RCSB PDB 3QRF · PDBe 3QRF · UniProt Q13469 · UniProt Q9BZS1
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