Crystal structure of ethanolamine ammonia-lyase from escherichia COLI complexed with adeninylpentylcobalamin and ethanolamine

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 14% strand (DSSP).

Ligands and binding sites

• COY · Co-(adenin-9-yl-pentyl)-cobalamin · ligand · 2 copies · chains A, B, C, D
• ETA · Ethanolamine · ligand · 2 copies · chains A, C
• SO4 · Sulfate ion · ion · chains C
• GOL · Glycerol · additive · 6 copies · chains A, C

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

Pockets

16 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

Interfaces

5 interfaces between chains.

• C–D · 2251 Ų buried · 35 hydrogen bonds · protein-protein
• A–B · 2229 Ų buried · 41 hydrogen bonds · protein-protein
• A–C · 1429 Ų buried · 28 hydrogen bonds · protein-protein
• A–D · 991 Ų buried · 20 hydrogen bonds · protein-protein
• B–C · 971 Ų buried · 21 hydrogen bonds · protein-protein

Compared structures

• 3ABS · Crystal structure of ethanolamine ammonia-lyase from Escherichia coli complexed with… · the same entry in another collection · chain C against C, TM-score 1.00
• P0AEJ6 · AlphaFold monomer V2.0 prediction for ethanolamine ammonia-lyase heavy chain (P0AEJ6) · a predicted model of the same protein · chain A against A, TM-score 1.00
• P19636 · AlphaFold monomer V2.0 prediction for ethanolamine ammonia-lyase light chain (P19636) · a predicted model of the same protein · chain B against A, TM-score 1.00

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 P0AEJ6
• Every structure of UniProt P19636
• Elsewhere: RCSB PDB 3ABS · PDBe 3ABS · UniProt P0AEJ6 · UniProt P19636