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Fragment of NITRATE/NITRITE sensor histidine kinase narq (wt) in asymmetric holo state

Analyse Fragment of NITRATE/NITRITE sensor histidine kinase narq (wt) in asymmetric… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5JEF
Type
protein
Length
441 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
NITRATE/NITRITE sensor protein narq
EC
2.7.13.3
UniProt
P27896
Ligands
LFA, NO3
Pockets
5 · best druggability 0.60

Structure

x-ray diffraction · 2 distinct chains · 83% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANITRATE/NITRITE sensor protein narq (EC 2.7.13.3)protein21983% helix, 0% strandP27896
BNITRATE/NITRITE sensor protein narq (EC 2.7.13.3)protein22282% helix, 0% strandP27896

Ligands and binding sites

  • LFA · Eicosane · ligand · chains A, B
  • NO3 · Nitrate ion · ion · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1940.600.8723empty
2760.490.8317empty
31330.390.7419empty
41140.350.7318empty
5560.340.7819empty

Interfaces

1 interface between chains.

  • A–B · 3145 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

  • 5JEF · Fragment of nitrate/nitrite sensor histidine kinase NarQ (WT) in asymmetric holo state · the same entry in another collection · chain A against A, TM-score 1.00
  • P27896 · AlphaFold monomer V2.0 prediction for NITRATE/NITRITE sensor protein narq (P27896) · a predicted model of the same protein · chain A against A, TM-score 0.86

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