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MolNFT v1 · #116524 · protein

Reaction of phosphorylated chey with imidazole 2 of 3

5DGC · Chemotaxis protein chey: “Reaction of phosphorylated chey with imidazole 2 of 3”. X-ray diffraction, 3 ligands (BEF, MN, CL), 1 pocket (best druggability 0.55). MolNFT v1 #116524 on GenesisL1: 3D structure, binding sites and pockets…

PDB
5DGC
Type
protein
Length
256 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chemotaxis protein chey
UniProt
P0AE68
Ligands
BEF, MN, CL
Pockets
1 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BChemotaxis protein cheyprotein12845% helix, 16% strandP0AE68

Ligands and binding sites

  • BEF · Beryllium trifluoride ion · ligand · 2 copies · chains A, B
  • MN · Manganese (II) ion · metal · 2 copies · chains A, B
  • CL · Chloride ion · ion · chains A, B
  • IMD · Imidazole · additive · 6 copies · chains A, B
  • GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12390.550.7739CL

Interfaces

1 interface between chains.

  • A–B · 623 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 5DGC · Reaction of phosphorylated CheY with imidazole 2 of 3 · the same entry in another collection · chain A against A, TM-score 1.00
  • P0AE68 · AlphaFold monomer V2.0 prediction for chemotaxis protein chey (P0AE68) · a predicted model of the same protein · chain B against A, TM-score 0.99

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