High throughput screening using acoustic droplet ejection to combine protein crystals and chemical libraries on crystallization plates at high density

Structure

x-ray diffraction · 1 distinct chain · 11% helix, 35% strand (DSSP).

Ligands and binding sites

• BEN · Benzamidine · ligand · chains A
• NA · Sodium ion · metal · 6 copies · chains A
• CA · Calcium ion · metal · chains A
• BR · Bromide ion · ion · 26 copies · chains A
• EDO · 1,2-ethanediol · additive · 7 copies · chains A
• TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A

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

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

• 4TPY · High throughput screening using acoustic droplet ejection to combine protein crystals and… · the same entry in another collection · chain A against A, TM-score 1.00
• 1TNL · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
• 1TNH · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
• 1TNK · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
• 1TNI · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
• 1TNG · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
• 1TNJ · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, 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 P00760
• Elsewhere: RCSB PDB 4TPY · PDBe 4TPY · UniProt P00760