Research workbench
Crystal structure of the phosphorylated SMAD2/SMAD4 heterotrimeric complex
Analyse Crystal structure of the phosphorylated SMAD2/SMAD4 heterotrimeric complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1U7V
- Type
- protein
- Length
- 602 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mothers against decapentaplegic homolog 2; Mothers against decapentaplegic homolog 4
- UniProt
- Q15796, Q13485
- Pockets
- 7 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 26% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mothers against decapentaplegic homolog 2 | protein | 198 | 23% helix, 29% strand | Q15796 |
| C | Mothers against decapentaplegic homolog 2 | protein | 196 | 26% helix, 28% strand | Q15796 |
| B | Mothers against decapentaplegic homolog 4 | protein | 208 | 28% helix, 24% strand | Q13485 |
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 | 1088 | 0.85 | 0.86 | 98 | empty |
| 2 | 166 | 0.68 | 0.87 | 29 | empty |
| 3 | 294 | 0.62 | 0.80 | 34 | empty |
| 4 | 274 | 0.59 | 0.78 | 41 | empty |
| 5 | 112 | 0.50 | 0.81 | 24 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1339 Ų buried · 23 hydrogen bonds · protein-protein
- A–C · 1288 Ų buried · 26 hydrogen bonds · protein-protein
- C–B · 1077 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (phosphorylation).
Compared structures
- 1U7V · Crystal Structure of the phosphorylated Smad2/Smad4 heterotrimeric complex · the same entry in another collection · chain A against A, TM-score 1.00
- Q15796 · AlphaFold monomer V2.0 prediction for mothers against decapentaplegic homolog 2 (Q15796) · a predicted model of the same protein · chain A against A, TM-score 0.99
- Q13485 · AlphaFold monomer V2.0 prediction for mothers against decapentaplegic homolog 4 (Q13485) · a predicted model of the same protein · chain B against A, TM-score 0.97
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 Q15796
- Every structure of UniProt Q13485
- Elsewhere: RCSB PDB 1U7V · PDBe 1U7V · UniProt Q15796 · UniProt Q13485
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