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Assimilatory nitrite reductase (NII3) - N226K mutant - SO3 partial complex from tobacco leaf

Analyse Assimilatory nitrite reductase (NII3) - N226K mutant - SO3 partial complex from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3VLY
Type
protein
Length
538 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nitrite reductase
EC
1.7.7.1
UniProt
Q76KB0
Ligands
SRM, SF4, K, CL, SO3
Pockets
4 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANitrite reductase (EC 1.7.7.1)protein53837% helix, 23% strandQ76KB0

Ligands and binding sites

  • SRM · Siroheme · ligand · chains A
  • SF4 · Iron/sulfur cluster · ligand · chains A
  • K · Potassium ion · metal · chains A
  • CL · Chloride ion · ion · 2 copies · chains A
  • SO3 · Sulfite ion · ion · chains A

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16070.790.8467SRM, SF4, CL, SO3
22300.580.8035empty
31140.420.7622empty
4860.360.7616empty

Compared structures

  • 3VLY · Assimilatory nitrite reductase (Nii3) - N226K mutant - SO3 partial complex from tobacco… · the same entry in another collection · chain A against A, TM-score 1.00

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