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Crystal structure of peptidase E with ordered active site loop from Salmonella enterica

Analyse Crystal structure of peptidase E with ordered active site loop from Salmonella… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6A4S
Type
protein
Length
465 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.9
Source
Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
Molecule
Peptidase E
EC
3.4.13.21
UniProt
P36936
Pockets
4 · best druggability 0.81

Structure

x-ray diffraction · resolution 1.9 · 2 distinct chains · 30% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APeptidase E (EC 3.4.13.21)protein23529% helix, 22% strandP36936
BPeptidase E (EC 3.4.13.21)protein23031% helix, 22% strandP36936

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12220.810.9433empty
22060.540.7923empty
32260.530.7725empty
4500.250.7319empty

Interfaces

1 interface between chains.

  • A–B · 1712 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 6A4S · Crystal structure of peptidase E with ordered active site loop from salmonella enterica · the same entry in another collection · chain A against A, TM-score 1.00
  • P36936 · AlphaFold monomer V2.0 prediction for peptidase E (P36936) · a predicted model of the same protein · chain B against A, TM-score 0.99

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