Crystal structure of the complex between carbonic anhydrase-like domain of ptprg and immunoglobulin domains 2-3 of CNTN6

Structure

x-ray diffraction · 2 distinct chains · 10% helix, 39% strand (DSSP).

Ligands and binding sites

• 1PS · 3-pyridinium-1-ylpropane-1-sulfonate · ligand · 4 copies · chains A, C
• MLT · D-malate · ligand · 4 copies · chains A, B, C, D
• FMT · Formic acid · additive · 3 copies · chains A, B, C, D
• ACY · Acetic acid · additive · 2 copies · chains B, D
• MLI · Malonate ion · additive · chains A, D

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

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Interfaces

6 interfaces between chains.

• C–D · 766 Ų buried · 15 hydrogen bonds · protein-protein
• A–B · 765 Ų buried · 15 hydrogen bonds · protein-protein
• A–D · 717 Ų buried · 4 hydrogen bonds · protein-protein
• B–C · 580 Ų buried · 4 hydrogen bonds · protein-protein
• A–C · 533 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

• 5E5U · Crystal structure of the complex between Carbonic anhydrase-like domain of PTPRG and… · the same entry in another collection · chain A against A, TM-score 1.00
• Q05909 · AlphaFold monomer V2.0 prediction for receptor-type tyrosine-protein phosphatase gamma… · a predicted model of the same protein · chain A against A, TM-score 0.98
• Q9JMB8 · AlphaFold monomer V2.0 prediction for contactin-6 (Q9JMB8) · a predicted model of the same protein · chain D against A, TM-score 0.95

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 Q05909
• Every structure of UniProt Q9JMB8
• Elsewhere: RCSB PDB 5E5U · PDBe 5E5U · UniProt Q05909 · UniProt Q9JMB8