MolNFT v1 · #48781 · protein
Ensemble refinement of the protein crystal structure of gene product from arabidopsis thaliana AT5G06450
2Q3S · Protein AT5G06450: “Ensemble refinement of the protein crystal structure of gene product from arabidopsis thaliana AT5G06450”. X-ray diffraction, 14 pockets (best druggability 0.69). MolNFT v1 #48781 on GenesisL1: 3D structure…
- PDB
- 2Q3S
- Type
- protein
- Length
- 1,200 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein AT5G06450
- UniProt
- Q9FNG3
- Pockets
- 14 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Protein AT5G06450 | protein | 200 | 45% helix, 22% strand | Q9FNG3 |
Pockets
14 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 438 | 0.69 | 0.80 | 42 | empty |
| 2 | 381 | 0.67 | 0.80 | 40 | empty |
| 3 | 399 | 0.67 | 0.80 | 36 | empty |
| 4 | 454 | 0.67 | 0.79 | 37 | empty |
| 5 | 294 | 0.65 | 0.81 | 34 | empty |
Interfaces
6 interfaces between chains.
- C–D · 1598 Ų buried · 21 hydrogen bonds · protein-protein
- A–B · 1504 Ų buried · 22 hydrogen bonds · protein-protein
- E–F · 1433 Ų buried · 22 hydrogen bonds · protein-protein
- D–E · 1430 Ų buried · 18 hydrogen bonds · protein-protein
- B–C · 1426 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 2Q3S · Ensemble refinement of the protein crystal structure of gene product from Arabidopsis… · the same entry in another collection · chain C against C, TM-score 1.00
- Q9FNG3 · AlphaFold monomer V2.0 prediction for protein risc-interacting clearing 3'-5'… · a predicted model of the same protein · chain A 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 Q9FNG3
- Elsewhere: RCSB PDB 2Q3S · PDBe 2Q3S · UniProt Q9FNG3
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