Notice

The SBDB will be operating at a reduce level due to maintance.

The SBDB will be operating at a reduced level Tue 06/18/2019 between 1PM and 5PM due to underlying maintance.

Docking models for Docking Benchmark 4, 5 and CAPRI score_set

HADDOCK docking models for Protein-Protein Docking Benchmark 4; HADDOCK, pyDock, SwarmDock and ZDock docking models for new complexes of Docking Benchmark 5; Various docking models for CAPRI score_set. All of the non-HADDOCK models are refined with HADDOCK using energy minimisation.


X-Ray Diffraction data from Tn3 resolvase - DNA complex crystal form II, source of 5CY2 structure

native data set


X-Ray Diffraction data from Tn3 resolvase - DNA complex crystal form I, source of 5CY1 structure

native data set


X-Ray Diffraction data from Hose liver alcohol dehydrogenase V203A substitution, NAD + pentafluorobenzyl alcohol, source of 4NG5 structure

low resolution data "v203apfb1_2" 720 frames, but images 620-627 blank; high resolution "v203apfb1_1", but images 481-499 are duplicated by images 500-518. Data to 1.1 A.


X-Ray Diffraction data from Horse liver alcohol dehydrogenase, E, Ser48Thr with NAD and 2,3,4,5,6-pentafluorobenzyl alcohol, source of 5KCP structure

High and low resolution passes with data to 1.1 A, 100K


X-Ray Diffraction data from horse liver alcohol dehydrogenase, source of 6OWM structure

Horse liver ADH, E isoenzyme, with Phe93 substituted with Trp complexed with NAD and 2,3,4,5,6-pentafluorobenzyl alcohol and data to 1.1 A.


X-Ray Diffraction data from Designed repeat protein specifically in complex with Fz7CRD, source of 6NE4 structure

native dataset


X-Ray Diffraction data from Designed repeat protein in complex with Fz7, source of 6NE2 structure

native dataset


X-Ray Diffraction data from Chicken egg white lysozyme, source of 6RTA structure

Tetragonal crystals grown with 300g/L Ficoll


X-Ray Diffraction data from Chicken egg white lysozyme, source of 6RT9 structure

Orthorhombic crystals grown with 300g/L sucrose


X-Ray Diffraction data from Chicken egg white lysozyme, source of 6RT3 structure

High resolution pass


X-Ray Diffraction data from Chicken egg white lysozyme, source of 6RT3 structure

Low resolution pass


X-Ray Diffraction data from Chicken egg white lysozyme, source of 6RT1 structure

Highly redundant dataset from Cu Ka home source


X-Ray Diffraction data from horse liver alcohol dehydrogease E L57F with NAD and trifluoroethanol, source of 6OA7 structure

high and low resolution passes to 1.1 A resolution


HADDOCK models of mutant protein complexes

HADDOCK models of mutant protein complexes gathered for the article: "C. Geng, A. Vangone, G.E. Folkers, L.C. Xue and A.M.J.J. Bonvin. iSEE: Interface Structure, Evolution and Energy-based machine learning predictor of binding affinity changes upon mutations. Proteins: Struc. Funct. & Bioinformatics 87, 110-119 (2019)."


X-Ray Diffraction data from Hose liver alcohol dehydrogenase L57F substitution, NAD + pentafluorobenzyl alcohol, source of 6O91 structure

High resolution pass ("_1.????") at 120 mm, 0.25 deg oscillations, 360 deg total and low resolution pass ("_2.????) at 200 mm with 0.5 deg oscillations over 360 deg total.


X-Ray Diffraction data from D. melanogaster Dpr10 IG1 bound to DIP-alpha IG1, source of 6NRQ structure

Native dataset


X-Ray Diffraction data from D. melanogaster DIP-eta IG1 homodimer, source of 6NRX structure

Native dataset


X-Ray Diffraction data from D. melanogaster DIP-gamma IG1+IG2, source of 6NS1 structure

native dataset


X-Ray Diffraction data from D. melanogaster Dpr1 IG1 bound to DIP-eta IG1, source of 6NRW structure

Native dataset