Docking models of antibody-antigen complexes

Antibody-antigen docking models gathered for the article: "Modelling of antibody-antigen complexes by information-driven docking." F. Ambrosetti, B. Jimenez-Garcia, J. Roel-Touris, A.M.J.J. Bonvin. Jun 2019. Structure.


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 Rhizobiales Pch2, source of 6PB3 structure

SAD dataset with selenomethionine-derivatized protein. One chain in AU; P6 symmetry reconstructs homo-hexamer


X-Ray Diffraction data from E. coli MS115-1 HORMA:CdnC:Pch2 complex, source of 6P8V structure

Collected at Selenium peak wavelength with selenomethionine-derivatized protein, but no signal. Can process as a native dataset.


X-Ray Diffraction data from P. aeruginosa CdnD:HORMA2:Peptide 1 complex, source of 6P8U structure

Native dataset


X-Ray Diffraction data from P. aeruginosa ATCC27853 HORMA1:HORMA2:Peptide 1 complex, source of 6P8S structure

Native dataset


X-Ray Diffraction data from P. aeruginosa ATCC27853 HORMA2, source of 6P8R structure

Selenomethionine-derivatized SAD dataset


X-Ray Diffraction data from P. aeruginosa ATCC27853 HORMA2, source of 6P8R structure

Native dataset


X-Ray Diffraction data from P. aeruginosa ATCC27853 HORMA1, source of 6P8P structure

NaBr soak dataset (SAD)


X-Ray Diffraction data from P. aeruginosa ATCC27853 HORMA1, source of 6P8P structure

Native dataset


X-Ray Diffraction data from P. aeruginosa ATCC27853 HORMA2-deltaC, source of 6P8O structure

Native dataset


X-Ray Diffraction data from P. aeruginosa ATCC27853 CdnD D62N/D64N mutant, ATP-bound, source of 6P8J structure

Native dataset


X-Ray Diffraction data from P. aeruginosa ATCC27853 CdnD, Apo form 1, source of 6P82 structure

Single-wavelength anomalous dataset (selenomethionine)


X-Ray Diffraction data from E. coli MS115-1 CdnC, ATP-bound (Selenomethionine), source of 6P80 structure

Single-wavelength selenomethionine anomalous dataset


X-Ray Diffraction data from E. coli MS115-1 CdnC, ATP-bound, source of 6P80 structure

Native dataset


X-Ray Diffraction data from E. coli MS115-1 NucC, 5'-pApA bound form, source of 6P7Q structure

450 frames, 0.2 degrees per frame


X-Ray Diffraction data from E. coli MS115-1 NucC, cAAA bound form, source of 6P7P structure

900 frames, 0.2 degrees per frame


X-Ray Diffraction data from E. coli MS115-1 NucC, Apo form, source of 6P7O structure

SAD data, two 30-degree wedges 180 degreesĀ apart