HADDOCK Protein-peptide models

HADDOCK protein-peptide models gathered for the article: "A unified conformational selection and induced fit approach to protein-peptide docking." Trellet M, Melquiond ASJ, Bonvin AMJJ. Mar 2013. PLoS One 8(3) dx.doi.org/10.1371/journal.pone.0058769


X-Ray Diffraction data from Rat Glutamate receptor delta-2 extracellular domain, source of 5L2E structure

Anisotropic data, with diffraction varying from 3.5 A to 7 A. First 400 images of a 600-image dataset, remainder of which had to be removed due to radiation damage. Crystal is twinned with a twin fraction of 0.49 and twinning law -h, -k, l. True space group is P3(2)21, but appears as P6(x)22 due to twinning.


X-Ray Diffraction data from Rat Cerebellin-1, source of 5KWR structure

Rat Cerebellin-1, N-terminal domain degraded in the crystallization drops, resulting in the C1q-domain-only trimers.


XFEL Diffraction data from Recombinant sperm whale myoglobin, source of 4PNJ structure

Single pulse (SASE) Free Electron Laser data collected from unexposed P6 sperm whale myoglobin crystals mounted in grids



X-Ray Diffraction data from TREM2 ectodomain, source of 5ELI structure

native dataset


X-Ray Diffraction data from RctB-155-483, source of 5UBF structure

x-ray diffraction dataset, SeMet labeled protein, wavelength 0.9792


X-Ray Diffraction data from RctB-1-124-L48M, source of 5UBD structure

x-ray diffraction dataset


X-Ray Diffraction data from RctB-1-124, source of 5UBE structure

x-ray diffraction dataset


X-Ray Diffraction data from Glycerol dehydrogenase, source of 5WQ5 structure

The crystal was obtained serendipitously


X-Ray Diffraction data from H. sapiens TRIP13 E253Q + ATP, source of 5VQA structure

Native dataset for H. sapiens TRIP13 E253Q + ATP


X-Ray Diffraction data from H. sapiens TRIP13 E253Q, source of 5VQ9 structure

Native dataset for hTRIP13 E253Q Apo state


X-Ray Diffraction data from Complex DesKC:DesR-REC (B. subtilis) - phosphotransferase state, high Mg2+ & BeF3-, source of 5IUL structure

native dataset


X-Ray Diffraction data from Phosphorylated DesKC (B. subtilis), source of 5IUM structure

Native dataset


X-Ray Diffraction data from Drosophila DGluR1A Ligand Binding Domain Y792T mutant, source of 5ICT structure

Native dataset


X-Ray Diffraction data from Drosophila DGluR1A Ligand Binding Domain glutamate complex, source of 5DT6 structure

Native dataset


X-Ray Diffraction data from Drosophila KaiR1D Ligand Binding Domain AP5 complex, source of 5EHS structure

Native dataset


X-Ray Diffraction data from Drosophila KaiR1D Ligand Binding Domain Glutamate complex, source of 5DTB structure

Native dataset


X-Ray Diffraction data from Drosophila KaiR1D Ligand Binding Domain NMDA complex, source of 5EHM structure

Native Data Set