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Chaperone spy bound to IM7 6-45 ensemble

Analyse Chaperone spy bound to IM7 6-45 ensemble in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5WNW
Type
protein
Length
224 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Periplasmic chaperone spy; Colicin-E7 immunity protein
UniProt
P77754, Q03708
Ligands
ZN, CL
Pockets
2 · best druggability 0.61

Structure

x-ray diffraction · 3 distinct chains · 58% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APeriplasmic chaperone spyprotein9571% helix, 0% strandP77754
BPeriplasmic chaperone spyprotein9270% helix, 0% strandP77754
CColicin-E7 immunity proteinprotein370% helix, 0% strandQ03708

Ligands and binding sites

  • ZN · Zinc ion · metal · 8 copies · chains A, B
  • CL · Chloride ion · ion · 2 copies · chains A, B
  • IMD · Imidazole · additive · 3 copies · chains A, 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14920.610.7547empty
2660.400.8017ZN

Interfaces

3 interfaces between chains.

  • A–B · 1673 Ų buried · 25 hydrogen bonds · protein-protein
  • B–C · 110 Ų buried · 0 hydrogen bonds · protein-protein
  • A–C · 82 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 5WNW · Chaperone Spy bound to Im7 6-45 ensemble · the same entry in another collection · chain A against A, TM-score 1.00
  • P77754 · AlphaFold monomer V2.0 prediction for periplasmic chaperone spy (P77754) · a predicted model of the same protein · chain B against A, TM-score 0.78
  • Q03708 · AlphaFold monomer V2.0 prediction for colicin-E7 immunity protein (Q03708) · a predicted model of the same protein · chain C against A, TM-score 0.20

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