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Crystal structure of chey triple mutant F14Q, N59K, E89Y complexed with BEF3- and MN2+

Analyse Crystal structure of chey triple mutant F14Q, N59K, E89Y complexed with BEF3… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3FFW
Type
protein
Length
256 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chemotaxis protein chey
UniProt
P0AE67
Ligands
BEF, MN, SO4
Pockets
1 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BChemotaxis protein cheyprotein12844% helix, 16% strandP0AE67

Ligands and binding sites

  • BEF · Beryllium trifluoride ion · ligand · 2 copies · chains A, B
  • MN · Manganese (II) ion · metal · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · 2 copies · chains A, B
  • GOL · Glycerol · additive · 3 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
12800.560.7744empty

Interfaces

1 interface between chains.

  • A–B · 619 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 3FFW · Crystal Structure of CheY triple mutant F14Q, N59K, E89Y complexed with BeF3- and Mn2+ · the same entry in another collection · chain A against A, TM-score 1.00
  • P0AE67 · AlphaFold monomer V2.0 prediction for chemotaxis protein chey (P0AE67) · a predicted model of the same protein · chain B against A, TM-score 0.99

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