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Crystal structure of a nitrate transporter

Analyse Crystal structure of a nitrate transporter in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4OH3
Type
protein
Length
1,049 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
14 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 67% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANitrate transporter 1.1protein51270% helix, 1% strandQ05085
BNitrate transporter 1.1protein53765% helix, 3% strandQ05085

Ligands and binding sites

  • NO3 · Nitrate ion · ion · 2 copies · chains A, B
  • LMT · Dodecyl-beta-D-maltoside · additive · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

14 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19040.780.8171NO3
210760.780.7977NO3
33270.770.8825empty
45640.730.8142empty
53110.540.7539empty

Interfaces

1 interface between chains.

  • A–B · 1105 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 4OH3 · Crystal structure of a nitrate transporter · 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 0.95

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