MolNFT v1 · #141956 · protein
Crystal structure of human SMAD1-MAN1 complex.
5ZOK · Mothers against decapentaplegic homolog 1: “Crystal structure of human SMAD1-MAN1 complex.”. X-ray diffraction, 6 pockets (best druggability 0.72). MolNFT v1 #141956 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5ZOK
- Type
- protein
- Length
- 651 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mothers against decapentaplegic homolog 1; Inner nuclear membrane protein MAN1
- UniProt
- Q15797, Q9Y2U8
- Pockets
- 6 · best druggability 0.72
Structure
x-ray diffraction · 3 distinct chains · 29% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Mothers against decapentaplegic homolog 1 | protein | 200 | 27% helix, 30% strand | Q15797 |
| B | Inner nuclear membrane protein MAN1 | protein | 127 | 31% helix, 22% strand | Q9Y2U8 |
| D | Inner nuclear membrane protein MAN1 | protein | 124 | 30% helix, 24% strand | Q9Y2U8 |
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 678 | 0.72 | 0.79 | 64 | empty |
| 2 | 713 | 0.71 | 0.78 | 66 | empty |
| 3 | 68 | 0.49 | 0.85 | 19 | empty |
| 4 | 99 | 0.44 | 0.78 | 21 | empty |
| 5 | 52 | 0.39 | 0.81 | 18 | empty |
Interfaces
5 interfaces between chains.
- A–B · 655 Ų buried · 9 hydrogen bonds · protein-protein
- C–D · 546 Ų buried · 5 hydrogen bonds · protein-protein
- B–D · 394 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 353 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 94 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 5ZOK · Crystal structure of human SMAD1-MAN1 complex. · the same entry in another collection · chain A against A, TM-score 1.00
- Q9Y2U8 · AlphaFold monomer V2.0 prediction for inner nuclear membrane protein MAN1 (Q9Y2U8) · a predicted model of the same protein · chain D against A, TM-score 0.99
- Q15797 · AlphaFold monomer V2.0 prediction for mothers against decapentaplegic homolog 1 (Q15797) · 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 Q15797
- Every structure of UniProt Q9Y2U8
- Elsewhere: RCSB PDB 5ZOK · PDBe 5ZOK · UniProt Q15797 · UniProt Q9Y2U8
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