Crystal structure of rbti-trypsin complex at 2.26 ångström resolution

Structure

x-ray diffraction · 2 distinct chains · 13% helix, 34% strand (DSSP).

Ligands and binding sites

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

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

Pockets

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

Interfaces

3 interfaces between chains.

• A–C · 715 Ų buried · 18 hydrogen bonds · protein-protein
• B–D · 694 Ų buried · 20 hydrogen bonds · protein-protein
• A–B · 420 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 14 disulfide (disulfide).

Compared structures

• 3RDZ · Crystal Structure of rBTI-trypsin complex at 2.26 angstrom resolution · the same entry in another collection · 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
• 1TNK · Prediction of novel serine protease inhibitors · a predicted model of the same protein · 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
• 1TNI · 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

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 Q9S9F3
• Elsewhere: RCSB PDB 3RDZ · PDBe 3RDZ · UniProt P00760 · UniProt Q9S9F3