Crystal structure of kunitz domain 1 of tissue factor pathway inhibitor-2 with bovine trypsin

Structure

x-ray diffraction · 2 distinct chains · 12% helix, 33% strand (DSSP).

Ligands and binding sites

• CA · Calcium ion · metal · 2 copies · chains A, C

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

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Interfaces

3 interfaces between chains.

• C–D · 731 Ų buried · 19 hydrogen bonds · protein-protein
• A–B · 724 Ų buried · 16 hydrogen bonds · protein-protein
• A–C · 155 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 15 disulfide (disulfide).

Compared structures

• 1ZR0 · Crystal Structure of Kunitz Domain 1 of Tissue Factor Pathway Inhibitor-2 with Bovine… · the same entry in another collection · chain D against D, TM-score 1.00
• 1TNL · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 0.99
• 1TNG · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 0.99
• 1TNI · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 0.99
• 1TNH · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 0.99
• 1TNJ · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 0.99
• 1TNK · Prediction of novel serine protease inhibitors · 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 P00760
• Every structure of UniProt P48307
• Elsewhere: RCSB PDB 1ZR0 · PDBe 1ZR0 · UniProt P00760 · UniProt P48307