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Crystal structure of the mutant H573A of the nuclease domain of COLE7 in complex with IM7

Analyse Crystal structure of the mutant H573A of the nuclease domain of COLE7 in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2JB0
Type
protein
Length
206 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Colicin E7 immunity protein; Colicin E7
EC
3.1.-.-
UniProt
Q03708, Q47112
Ligands
ZN
Pockets
3 · best druggability 0.46

Structure

x-ray diffraction · 2 distinct chains · 48% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AColicin E7 immunity protein (EC 3.1.-.-)protein8460% helix, 0% strandQ03708
BColicin E7 (EC 3.1.-.-)protein12240% helix, 18% strandQ47112

Ligands and binding sites

  • ZN · Zinc ion · metal · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11440.460.7722empty
2820.370.7713empty
3810.290.7219empty

Interfaces

1 interface between chains.

  • A–B · 749 Ų buried · 15 hydrogen bonds · protein-protein

Compared structures

  • 2JB0 · Crystal structure of the mutant H573A of the nuclease domain of COLE7 in complex with IM7 · the same entry in another collection · chain B against B, TM-score 1.00
  • Q03708 · AlphaFold monomer V2.0 prediction for colicin-E7 immunity protein (Q03708) · a predicted model of the same protein · chain A against A, TM-score 0.99
  • Q47112 · AlphaFold monomer V2.0 prediction for colicin-E7 (Q47112) · a predicted model of the same protein · chain B against A, TM-score 0.98

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