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Crystal structure of the DNA binding domain of E.COLI fur (ferric uptake regulator)

Analyse Crystal structure of the DNA binding domain of E.COLI fur (ferric uptake… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2FU4
Type
protein
Length
162 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ferric uptake regulation protein
UniProt
P0A9A9
Ligands
CD, CL
Pockets
1 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 58% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BFerric uptake regulation proteinprotein8158% helix, 14% strandP0A9A9

Ligands and binding sites

  • CD · Cadmium ion · metal · 8 copies · chains A, B
  • CL · Chloride ion · ion · 12 copies · chains A, B
  • GOL · Glycerol · additive · chains 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
11000.530.8322CD

Interfaces

1 interface between chains.

  • A–B · 552 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 2FU4 · Crystal Structure of the DNA binding domain of E.coli FUR (Ferric Uptake Regulator) · the same entry in another collection · chain A against A, TM-score 1.00
  • P0A9A9 · AlphaFold monomer V2.0 prediction for ferric uptake regulation protein (P0A9A9) · a predicted model of the same protein · chain B against A, TM-score 0.98

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