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Crystal structure of the lfw ectodomain of the peptidoglycan recognition protein lf

Analyse Crystal structure of the lfw ectodomain of the peptidoglycan recognition… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2XZ8
Type
protein
Length
269 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Peptidoglycan-recognition protein lf
UniProt
Q8SXQ7
Ligands
NA
Pockets
1 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 28% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APeptidoglycan-recognition protein lfprotein13528% helix, 24% strandQ8SXQ7
BPeptidoglycan-recognition protein lfprotein13428% helix, 25% strandQ8SXQ7

Ligands and binding sites

  • NA · Sodium ion · metal · chains B
  • PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A, B
  • PG4 · Tetraethylene glycol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15980.770.8356empty

Interfaces

1 interface between chains.

  • A–B · 618 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 2XZ8 · Crystal structure of the lfw ectodomain of the peptidoglycan recognition protein lf · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8SXQ7 · AlphaFold monomer V2.0 prediction for peptidoglycan-recognition protein lf (Q8SXQ7) · a predicted model of the same protein · chain B against A, TM-score 0.99

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