MolNFT v1 · #83744 · protein
Crystal structure of the N-terminal domain of resistance protein
3WRW · Tm-1 protein: “Crystal structure of the N-terminal domain of resistance protein”. X-ray diffraction, 20 pockets (best druggability 0.71). MolNFT v1 #83744 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3WRW
- Type
- protein
- Length
- 2,375 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tm-1 protein
- UniProt
- A7M6E7
- Pockets
- 20 · best druggability 0.71
Structure
x-ray diffraction · 6 distinct chains · 43% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tm-1 protein | protein | 405 | 44% helix, 19% strand | A7M6E7 |
| B | Tm-1 protein | protein | 403 | 43% helix, 20% strand | A7M6E7 |
| C | Tm-1 protein | protein | 400 | 43% helix, 19% strand | A7M6E7 |
| D | Tm-1 protein | protein | 401 | 44% helix, 20% strand | A7M6E7 |
| E | Tm-1 protein | protein | 386 | 43% helix, 18% strand | A7M6E7 |
| F | Tm-1 protein | protein | 380 | 44% helix, 16% strand | A7M6E7 |
Ligands and binding sites
- TLA · L(+)-tartaric acid · additive · 2 copies · chains A, B, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 416 | 0.71 | 0.82 | 49 | empty |
| 2 | 128 | 0.59 | 0.85 | 32 | empty |
| 3 | 268 | 0.59 | 0.79 | 31 | empty |
| 4 | 73 | 0.58 | 0.88 | 27 | TLA |
| 5 | 132 | 0.57 | 0.83 | 33 | empty |
Interfaces
10 interfaces between chains.
- A–B · 1899 Ų buried · 26 hydrogen bonds · protein-protein
- C–D · 1874 Ų buried · 23 hydrogen bonds · protein-protein
- E–F · 1816 Ų buried · 21 hydrogen bonds · protein-protein
- C–F · 511 Ų buried · 10 hydrogen bonds · protein-protein
- B–F · 454 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 48 modified (engineered).
Compared structures
- 3WRW · Crystal structure of the N-terminal domain of resistance protein · the same entry in another collection · chain A against A, TM-score 1.00
- A7M6E7 · AlphaFold monomer V2.0 prediction for tomv resistance protein tm-1(GCR237) (A7M6E7) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 A7M6E7
- Elsewhere: RCSB PDB 3WRW · PDBe 3WRW · UniProt A7M6E7
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