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Crystal structure of the complex of the colicin E9 DNase domain with a mutant immunity protein, IMME9 (D51A)

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

PDB
2GYK
Type
protein
Length
428 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Colicin-E9 immunity protein; Colicin-E9
EC
3.1.21.1
UniProt
P13479, P09883
Ligands
ZN, PO4
Pockets
2 · best druggability 0.27

Structure

x-ray diffraction · 3 distinct chains · 46% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, EColicin-E9 immunity proteinprotein8358% helix, 2% strandP13479
BColicin-E9 (EC 3.1.21.1)protein13042% helix, 17% strandP09883
FColicin-E9 (EC 3.1.21.1)protein13243% helix, 17% strandP09883

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains B, F
  • PO4 · Phosphate ion · ion · 2 copies · chains B, F

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
1570.270.7413PO4
2530.260.7415empty

Interfaces

2 interfaces between chains.

  • E–F · 839 Ų buried · 19 hydrogen bonds · protein-protein
  • A–B · 820 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 2GYK · Crystal structure of the complex of the Colicin E9 DNase domain with a mutant immunity… · 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 F 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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