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MolNFT v1 · #19334 · protein

Energetics of a hydrogen bond (charged and neutral) and of a cation-pi interaction in apoflavodoxin

1QHE · Protein (flavodoxin): “Energetics of a hydrogen bond (charged and neutral) and of a cation-pi interaction in apoflavodoxin”. X-ray diffraction, 1 ligand (SO4). MolNFT v1 #19334 on GenesisL1: 3D structure, binding sites and pockets…

PDB
1QHE
Type
protein
Length
168 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein (flavodoxin)
UniProt
P0A3E0
Ligands
SO4

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein (flavodoxin)protein16836% helix, 19% strandP0A3E0

Ligands and binding sites

  • SO4 · Sulfate ion · ion · chains A

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

Compared structures

  • 1QHE · Energetics of a hydrogen bond (charged and neutral) and of a cation-pi interaction in… · the same entry in another collection · chain A against A, TM-score 1.00
  • P0A3E0 · AlphaFold monomer V2.0 prediction for flavodoxin (P0A3E0) · a predicted model of the same protein · chain A against A, TM-score 0.98

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