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Cdia-ct toxin from burkholderia pseudomallei E479 in complex with cognate cdii immunity protein

Analyse Cdia-ct toxin from burkholderia pseudomallei E479 in complex with cognate cdii… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5J4A
Type
protein
Length
440 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
TRNA nuclease cdia; Immunity protein cdii
EC
3.1.-.-
UniProt
H9T8G6, H9T8G7
Pockets
5 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 57% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CTRNA nuclease cdia (EC 3.1.-.-)protein11652% helix, 14% strandH9T8G6
B, DImmunity protein cdiiprotein10463% helix, 13% strandH9T8G7

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14000.670.8042empty
21180.520.8124empty
31280.520.8126empty
41810.440.7423empty
5540.290.7511empty

Interfaces

5 interfaces between chains.

  • A–B · 1040 Ų buried · 19 hydrogen bonds · protein-protein
  • C–D · 1024 Ų buried · 15 hydrogen bonds · protein-protein
  • A–D · 267 Ų buried · 2 hydrogen bonds · protein-protein
  • A–C · 147 Ų buried · 1 hydrogen bond · protein-protein
  • B–C · 18 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 5J4A · CdiA-CT toxin from Burkholderia pseudomallei E479 in complex with cognate CdiI immunity… · the same entry in another collection · chain D against D, TM-score 1.00
  • H9T8G7 · AlphaFold monomer V2.0 prediction for immunity protein cdii (H9T8G7) · a predicted model of the same protein · chain B against A, TM-score 0.99
  • H9T8G6 · AlphaFold monomer V2.0 prediction for tRNA nuclease cdia (H9T8G6) · a predicted model of the same protein · chain A against A, TM-score 0.96

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