Crystal structure of ance in complex with THR6-bradykinin

Structure

x-ray diffraction · 2 distinct chains · 64% helix, 3% strand (DSSP).

Ligands and binding sites

• 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, P
• FLC · Citrate anion · additive · chains A, P

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.

Interfaces

1 interface between chains.

• A–P · 368 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

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

Compared structures

• 4ASR · Crystal structure of ANCE in complex with Thr6-Bradykinin · the same entry in another collection · chain A against A, TM-score 1.00
• P01042 · AlphaFold monomer V2.0 prediction for kininogen-1 (P01042) · a predicted model of the same protein · chain P 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
• Every structure of UniProt P01042
• Elsewhere: RCSB PDB 4ASR · PDBe 4ASR · UniProt Q10714 · UniProt P01042