Crystal structure of putrescine transcarbamylase from enterococcus faecalis with N-(phosphonoacetyl)-putrescine

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 14% strand (DSSP).

Ligands and binding sites

• PUW · N-(phosphonoacetyl)-putrescine · ligand · 2 copies · chains A, B
• NI · Nickel (II) ion · metal · 2 copies · chains A, B
• SO4 · Sulfate ion · ion · 2 copies · chains A, B
• EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
• TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 518 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

• 4A8H · Crystal structure of putrescine transcarbamylase from Enterococcus faecalis with… · the same entry in another collection · chain A against A, TM-score 1.00
• Q837U7 · AlphaFold monomer V2.0 prediction for putrescine carbamoyltransferase (Q837U7) · 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 Q837U7
• Elsewhere: RCSB PDB 4A8H · PDBe 4A8H · UniProt Q837U7