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Crystal structure of putrescine transcarbamylase from enterococcus faecalis lacking its C-terminal helix, with bound N5-(phosphonoacetyl)-L-ornithine

Analyse Crystal structure of putrescine transcarbamylase from enterococcus faecalis… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4A8T
Type
protein
Length
317 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putrescine carbamoyltransferase
EC
2.1.3.6
UniProt
Q837U7
Ligands
PAO, NI
Pockets
1 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutrescine carbamoyltransferase (EC 2.1.3.6)protein31746% helix, 15% strandQ837U7

Ligands and binding sites

  • PAO · N-(phosphonoacetyl)-L-ornithine · ligand · chains A
  • NI · Nickel (II) ion · metal · chains A
  • PGE · Triethylene 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
12180.610.8237PAO

Compared structures

  • 4A8T · Crystal structure of putrescine transcarbamylase from Enterococcus faecalis lacking its… · 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 0.99

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