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Crystal structure of Csd1-Csd2 dimer I

Analyse Crystal structure of Csd1-Csd2 dimer I in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5J1L
Type
protein
Length
679 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.27
Source
Helicobacter pylori; Helicobacter pylori (strain ATCC 700392 / 26695)
Molecule
ToxR-activated gene (TagE)
UniProt
O26068, O26069
Ligands
ZN
Pockets
7 · best druggability 0.57

Structure

x-ray diffraction · resolution 2.27 · 4 distinct chains · 23% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AToxR-activated gene (TagE)protein16027% helix, 31% strandO26068
BToxR-activated gene (TagE)protein18221% helix, 31% strandO26069
CToxR-activated gene (TagE)protein16223% helix, 33% strandO26068
DToxR-activated gene (TagE)protein17521% helix, 30% strandO26069

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains A, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12680.570.7830empty
21290.500.8028empty
3960.490.8221empty
41780.460.7630empty
51640.450.7524empty

Interfaces

5 interfaces between chains.

  • A–B · 1351 Ų buried · 9 hydrogen bonds · protein-protein
  • C–D · 1316 Ų buried · 9 hydrogen bonds · protein-protein
  • B–D · 341 Ų buried · 7 hydrogen bonds · protein-protein
  • B–C · 322 Ų buried · 8 hydrogen bonds · protein-protein
  • A–D · 288 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 5J1L · Crystal structure of CSD1-CSD2 dimer I · the same entry in another collection · chain A against A, TM-score 1.00

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