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Crystal structure of burkholderia pseudomallei D-alanine-D-alanine ligase in complex with AMP and D-ala-D-ala

Analyse Crystal structure of burkholderia pseudomallei D-alanine-D-alanine ligase in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5NRI
Type
protein
Length
622 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
A3NZL3
Ligands
AMP, MG, SO4

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein313—A3NZL3
B—protein309—A3NZL3

Ligands and binding sites

  • AMP · Adenosine monophosphate · ligand · 2 copies · chains A, B
  • MG · Magnesium ion · metal · chains A
  • SO4 · Sulfate ion · ion · 3 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 8 copies · chains A, B
  • PGE · Triethylene glycol · additive · chains B

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

Compared structures

  • 5NRI · Crystal structure of Burkholderia pseudomallei D-alanine-D-alanine ligase in complex with… · the same entry in another collection · chain B against B, TM-score 1.00
  • A3NZL3 · AlphaFold monomer V2.0 prediction for D-alanine--D-alanine ligase (A3NZL3) · a predicted model of the same protein · chain B against A, TM-score 0.99

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