Use of restrained molecular dynamics in water to determine three- dimensional protein structure: prediction of the three-dimensional structure of ecballium elaterium trypsin inhibitor II

Structure

solution nmr · 1 distinct chain.

Compared structures

• 2ETI · Use of restrained molecular dynamics in water to determine three-dimensional protein… · the same entry in another collection · chain A against A, TM-score 1.00
• 2C4B · Inhibitor cystine knot protein McoEeTI fused to the catalytically inactive barnase mutant… · an experimental structure of the same protein · chain A against A, TM-score 0.54
• 2C4B · Inhibitor cystine knot protein mcoeeti fused to the catalytically inactive barnase mutant… · an experimental structure of the same protein · chain A against A, TM-score 0.54
• 2IT7 · Solution structure of the squash trypsin inhibitor EETI-II · an experimental structure of the same protein · chain A against A, TM-score 0.51
• 2IT7 · Solution structure of the squash trypsin inhibitor eeti-II · an experimental structure of the same protein · chain A against A, TM-score 0.51
• 1H9H · Complex of eeti-II with porcine trypsin · an experimental structure of the same protein · chain A against I, TM-score 0.50
• 1H9H · Complex of eeti-II with porcine trypsin · an experimental structure of the same protein · chain A against I, TM-score 0.50
• 1W7Z · Crystal structure of the free (uncomplexed) Ecballium elaterium trypsin inhibitor… · an experimental structure of the same protein · chain A against E, TM-score 0.50
• 1W7Z · Crystal structure of the free (uncomplexed) ecballium elaterium trypsin inhibitor… · an experimental structure of the same protein · chain A against E, TM-score 0.50
• 1H9I · Complex of eeti-II mutant with porcine trypsin · an experimental structure of the same protein · chain A against I, TM-score 0.50
• 1H9I · Complex of eeti-II mutant with porcine trypsin · an experimental structure of the same protein · chain A against I, TM-score 0.50

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 P12071
• Elsewhere: RCSB PDB 2ETI · PDBe 2ETI · UniProt P12071 · AlphaFold DB P12071