MolNFT v1 · #113011 · protein
Crystal structure of the nitrate transporter NRT1.1 from arabidopsis thaliana in complex with nitrate.
5A2O · Nitrate transporter 1.1: “Crystal structure of the nitrate transporter NRT1.1 from arabidopsis thaliana in complex with nitrate.”. X-ray diffraction, 1 ligand (NO3), 9 pockets (best druggability 0.80). MolNFT v1 #113011 on…
- PDB
- 5A2O
- Type
- protein
- Length
- 940 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nitrate transporter 1.1
- UniProt
- Q05085
- Ligands
- NO3
- Pockets
- 9 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 70% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Nitrate transporter 1.1 | protein | 470 | 70% helix, 0% strand | Q05085 |
Ligands and binding sites
- NO3 · Nitrate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1009 | 0.80 | 0.81 | 78 | NO3 |
| 2 | 966 | 0.80 | 0.81 | 80 | NO3 |
| 3 | 346 | 0.73 | 0.84 | 27 | empty |
| 4 | 567 | 0.68 | 0.78 | 64 | empty |
| 5 | 105 | 0.43 | 0.78 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 1096 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 5A2O · Crystal structure of the nitrate transporter NRT1.1 from Arabidopsis thaliana in complex… · the same entry in another collection · chain A against A, TM-score 1.00
- Q05085 · AlphaFold monomer V2.0 prediction for protein NRT1/ ptr family 6.3 (Q05085) · 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 Q05085
- Elsewhere: RCSB PDB 5A2O · PDBe 5A2O · UniProt Q05085
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