Psychrophilic aromatic amino acids aminotransferase from psychrobacter sp. B6 cocrystalized with aspartic acid

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 13% strand (DSSP).

Ligands and binding sites

• PLP · Pyridoxal-5'-phosphate · ligand · 5 copies · chains A, B, C, D, E, F
• KET · 2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethylene)-amino]-succinic acid · ligand · 3 copies · chains A, B, E, F, G, H
• OAA · Oxaloacetate ion · ligand · 2 copies · chains C, D, E
• PMP · 4'-deoxy-4'-aminopyridoxal-5'-phosphate · ligand · 2 copies · chains C, D, G, H
• MG · Magnesium ion · metal · 4 copies · chains A, B, C, D, E, F, G, H

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

Pockets

20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

Interfaces

14 interfaces between chains.

• E–F · 3379 Ų buried · 47 hydrogen bonds · protein-protein
• A–B · 3374 Ų buried · 58 hydrogen bonds · protein-protein
• G–H · 3346 Ų buried · 45 hydrogen bonds · protein-protein
• C–D · 3326 Ų buried · 43 hydrogen bonds · protein-protein
• A–D · 397 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 cofactor, 1 covalent (pyridoxal phosphate Schiff base, covalent ligand).

Compared structures

• 4RKD · Psychrophilic aromatic amino acids aminotransferase from Psychrobacter sp. B6… · the same entry in another collection · chain E against E, 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 C7E5X4
• Elsewhere: RCSB PDB 4RKD · PDBe 4RKD · UniProt C7E5X4