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Crystal structure of the escherichia COLI colicin E9 DNase domain with its cognate immunity protein IM9

Analyse Crystal structure of the escherichia COLI colicin E9 DNase domain with its… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1BXI
Type
protein
Length
214 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein (colicin E9 immunity protein); Protein (colicin E9)
UniProt
P13479, P09883
Ligands
NI, PO4
Pockets
2 · best druggability 0.38

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein (colicin E9 immunity protein)protein8358% helix, 0% strandP13479
BProtein (colicin E9)protein13139% helix, 17% strandP09883

Ligands and binding sites

  • NI · Nickel (II) ion · metal · chains B
  • PO4 · Phosphate ion · ion · chains B

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1690.380.7821empty
2740.290.7315empty

Interfaces

1 interface between chains.

  • A–B · 810 Ų buried · 18 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (engineered).

Compared structures

  • 1BXI · Crystal structure of the escherichia COLI colicin E9 DNase domain with its cognate… · the same entry in another collection · chain A against A, TM-score 1.00
  • P09883 · AlphaFold monomer V2.0 prediction for colicin-E9 (P09883) · a predicted model of the same protein · chain B against A, TM-score 0.98
  • P13479 · AlphaFold monomer V2.0 prediction for colicin-E9 immunity protein (P13479) · a predicted model of the same protein · chain A against A, TM-score 0.97

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