Test System : COMPLEX(PROTEINASE/INHIBITOR)

Description
PDB Code
Resolution
SCOP domain(s)
ComplexTRYPSIN VARIANT (D189G,G226D) COMPLEXED WITH AMYLOID BETA-PROTEIN PRECURSOR INHIBITOR DOMAIN (APPI)
1BRC
2.50
d1brce_ + d1brci_
Component 1TRYPSIN VARIANT (D189G,G226D) COMPLEXED WITH BENZAMIDINE
1BRA
2.20
d1bra__
Component 2PROTEASE INHIBITOR DOMAIN OF ALZHEIMER'S AMYLOID BETA-PROTEIN PRECURSOR (APPI)
1AAP
1.50
d1aapa_

RMSD best possible fit of...
(Angstroms)
Whole Complex
Interface
All atomsC alpha atomsAll atomsC alpha atoms
Component 1 alone
0.8048
0.4027
0.9121
0.4297
Component 2 alone
1.1649
0.4255
1.2701
0.3156
Combined Components
0.9194
0.4074
1.0052
0.4068

Parsed coordinates
These are not exactly the same as the original PDB files in that they have been run through our PDB parser, which does various things such as remove alternative atoms. They may also have had their chain IDs changed so that the components match. Any other changes such as truncations are noted in the box below.

Complex
Component 1
Component 2
1brc has incomplete sidechains in both domains, but none in the actual interface. no truncations

Decoy set ( gzipped tarball )