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MolNFT v1 · #82404 · protein

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

3VLZ: “Assimilatory nitrite reductase (NII3) - N226K mutant - SO3 full complex from tobacco leaf”. X-ray diffraction, 5 ligands (SRM, SF4, K), 4 pockets (best druggability 0.79). MolNFT v1 #82404 on GenesisL1: 3D structure, binding sites…

PDB
3VLZ
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 · 36% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANitrite reductase (EC 1.7.7.1)protein53836% 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
16700.790.8465SRM, SF4, CL, SO3
22260.580.8034empty
31140.410.7621empty
4780.350.7614empty

Compared structures

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

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