Protein SERINE/THREONINE phosphatase-1 (alpha isoform, type 1) complexed with microcystin-lr toxin

Structure

x-ray diffraction · 3 distinct chains · 34% helix, 19% strand (DSSP).

Ligands and binding sites

• 1ZN · (2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid · ligand · 2 copies · chains A, M, B, N
• FGA · Gamma-D-glutamic acid · ligand · 2 copies · chains A, M, B, N
• DAM · N-methyl-alpha-beta-dehydroalanine · ligand · 2 copies · chains A, M, B, N
• MN · Manganese (II) ion · metal · 4 copies · chains A, B
• BME · Beta-mercaptoethanol · additive · 2 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Interfaces

3 interfaces between chains.

• A–M · 271 Ų buried · 3 hydrogen bonds · protein-protein
• B–N · 270 Ų buried · 3 hydrogen bonds · protein-protein
• A–B · 211 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 covalent, 2 d-amino, 2 modified (covalent ligand, additive adduct, D-amino acid, nonstandard).

Compared structures

• 1FJM · Protein serine/threonine phosphatase-1 (alpha isoform, type 1) complexed with… · the same entry in another collection · chain M against M, 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 P08129
• Elsewhere: RCSB PDB 1FJM · PDBe 1FJM · UniProt P08129