Crystal structure of the C-terminal pgn-binding domain of human pgrp- ialpha in complex with pgn analog muramyl tripeptide

Structure

x-ray diffraction · 2 distinct chains · 29% helix, 20% strand (DSSP).

Ligands and binding sites

• AMU · N-acetyl-beta-muramic acid · ligand · chains A, P
• NI · Nickel (II) ion · metal · chains A
• NH2 · Amino group · ion · chains A, P

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

Interfaces

1 interface between chains.

• A–P · 328 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide, 1 covalent, 1 modified (disulfide, covalent ligand, nonstandard).

Compared structures

• 1TWQ · Crystal structure of the C-terminal PGN-binding domain of human PGRP-Ialpha in complex… · the same entry in another collection · chain P against P, TM-score 1.00
• Q96LB9 · AlphaFold monomer V2.0 prediction for peptidoglycan recognition protein 3 (Q96LB9) · a predicted model of the same protein · chain A against A, TM-score 0.98

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt Q96LB9
• Elsewhere: RCSB PDB 1TWQ · PDBe 1TWQ · UniProt Q96LB9