Thrombin in complex with D-phe-pro-2-chlorothiophen derivative (16E)

Structure

x-ray diffraction · 3 distinct chains.

Ligands and binding sites

• OQZ · (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide · ligand · 2 copies · chains L, H
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains H
• NA · Sodium ion · metal · 2 copies · chains H
• PO4 · Phosphate ion · ion · chains H
• EDO · 1,2-ethanediol · additive · chains L, H
• DMS · Dimethyl sulfoxide · additive · chains H

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

Compared structures

• 6YHJ · Thrombin in complex with D-Phe-Pro-2-chlorothiophen derivative (16e) · the same entry in another collection · chain L against L, TM-score 1.00
• P09945 · AlphaFold monomer V2.0 prediction for hirudin variant-2 (P09945) · a predicted model of the same protein · chain I against A, TM-score 0.51

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 P00734
• Every structure of UniProt P09945
• Elsewhere: RCSB PDB 6YHJ · PDBe 6YHJ · UniProt P00734 · UniProt P09945