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Crystal structure of TSE3-TSI3 complex

Analyse Crystal structure of TSE3-TSI3 complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4N80
Type
protein
Length
521 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized protein
UniProt
Q9HYC5, Q9HYC4
Ligands
CA, ZN
Pockets
3 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 50% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUncharacterized proteinprotein39963% helix, 2% strandQ9HYC5
BUncharacterized proteinprotein1227% helix, 55% strandQ9HYC4

Ligands and binding sites

  • CA · Calcium ion · metal · 2 copies · chains A, B
  • ZN · Zinc ion · metal · chains A, 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15170.680.7853empty
21470.400.7432empty
31080.370.7429empty

Interfaces

1 interface between chains.

  • A–B · 1029 Ų buried · 26 hydrogen bonds · protein-protein

Compared structures

  • 4N80 · Crystal structure of Tse3-Tsi3 complex · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9HYC4 · AlphaFold monomer V2.0 prediction for immune protein TSI3 (Q9HYC4) · a predicted model of the same protein · chain B against A, TM-score 0.99
  • Q9HYC5 · AlphaFold monomer V2.0 prediction for peptidoglycan muramidase TSE3 (Q9HYC5) · a predicted model of the same protein · chain A against A, TM-score 0.97

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