Crystal structure of ance-RXPA380 complex

Structure

x-ray diffraction · 1 distinct chain · 64% helix, 3% strand (DSSP).

Ligands and binding sites

• RX3 · N-({(1S,2R)-2-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]cyclopentyl}carbonyl)-L-trypt ophan · ligand · chains A
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A
• BMA · beta-D-mannopyranose · sugar · 2 copies · chains A
• MAN · alpha-D-mannopyranose · sugar · 2 copies
• ZN · Zinc ion · metal · chains A
• EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 4 disulfide, 3 glycan (disulfide, N-glycosylation).

Compared structures

• 2X96 · Crystal structure of AnCE-RXPA380 complex · the same entry in another collection · chain A against A, TM-score 1.00
• Q10714 · AlphaFold monomer V2.0 prediction for angiotensin-converting enzyme (Q10714) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 Q10714
• Elsewhere: RCSB PDB 2X96 · PDBe 2X96 · UniProt Q10714