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MolNFT v1 · #2470 · protein

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

1BXI · Protein (colicin E9 immunity protein): “Crystal structure of the escherichia COLI colicin E9 DNase domain with its cognate immunity protein IM9”. X-ray diffraction, 2 ligands (NI, PO4), 2 pockets (best druggability 0.38). MolNFT v1…

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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