Research workbench
Crystal structure of the phosphorylated SMAD3/SMAD4 heterotrimeric complex
Analyse Crystal structure of the phosphorylated SMAD3/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
- 1U7F
- Type
- protein
- Length
- 587 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mothers against decapentaplegic homolog 3; Mothers against decapentaplegic homolog 4
- UniProt
- P84022, Q13485
- Pockets
- 7 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 26% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mothers against decapentaplegic homolog 3 | protein | 198 | 28% helix, 29% strand | P84022 |
| B | Mothers against decapentaplegic homolog 4 | protein | 193 | 27% helix, 27% strand | Q13485 |
| C | Mothers against decapentaplegic homolog 3 | protein | 196 | 23% helix, 29% strand | P84022 |
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 | 1133 | 0.83 | 0.84 | 99 | empty |
| 2 | 285 | 0.63 | 0.80 | 36 | empty |
| 3 | 161 | 0.61 | 0.84 | 24 | empty |
| 4 | 213 | 0.55 | 0.79 | 30 | empty |
| 5 | 102 | 0.47 | 0.81 | 23 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1300 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 1294 Ų buried · 29 hydrogen bonds · protein-protein
- B–C · 1036 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (phosphorylation).
Compared structures
- 1U7F · Crystal Structure of the phosphorylated Smad3/Smad4 heterotrimeric complex · the same entry in another collection · chain A against A, TM-score 1.00
- P84022 · AlphaFold monomer V2.0 prediction for mothers against decapentaplegic homolog 3 (P84022) · 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 0.96
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 P84022
- Every structure of UniProt Q13485
- Elsewhere: RCSB PDB 1U7F · PDBe 1U7F · UniProt P84022 · UniProt Q13485
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