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PALS1 PDZ1 domain with SARS-CoV-1_E PBM complex

Analyse PALS1 PDZ1 domain with SARS-CoV-1_E PBM complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7NTJ
Type
protein
Length
183 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.74
Source
Homo sapiens; SYNTHETIC CONSTRUCT
Molecule
MAGUK p55 subfamily member 5; Envelope small membrane protein
UniProt
Q8N3R9, P59637
Pockets
1 · best druggability 0.30

Structure

x-ray diffraction · resolution 1.74 · 3 distinct chains · 18% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B, AMAGUK p55 subfamily member 5protein8620% helix, 41% strandQ8N3R9
GEnvelope small membrane proteinprotein40% helix, 50% strandP59637
CEnvelope small membrane proteinprotein70% helix, 29% strandP59637

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1670.300.7414empty

Interfaces

3 interfaces between chains.

  • B–A · 469 Ų buried · 7 hydrogen bonds · protein-protein
  • A–C · 413 Ų buried · 12 hydrogen bonds · protein-protein
  • B–G · 403 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 7NTJ · PALS1 PDZ1 domain with SARS-cov-1_E pbm complex · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8N3R9 · AlphaFold monomer V2.0 prediction for maguk P55 subfamily member 5 (Q8N3R9) · a predicted model of the same protein · chain B against A, TM-score 0.94

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