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Open data
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Basic information
Entry | Database: PDB / ID: 7q5h | ||||||
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Title | Keap1 compound complex | ||||||
![]() | Kelch-like ECH-associated protein 1 | ||||||
![]() | ![]() ![]() | ||||||
Function / homology | ![]() negative regulation of response to oxidative stress / regulation of epidermal cell differentiation / Nuclear events mediated by NFE2L2 / Cul3-RING ubiquitin ligase complex / centriolar satellite / ubiquitin-like ligase-substrate adaptor activity / cellular response to interleukin-4 / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Johansson, P. | ||||||
Funding support | 1items
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![]() | ![]() Title: Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction. Authors: Begnini, F. / Geschwindner, S. / Johansson, P. / Wissler, L. / Lewis, R.J. / Danelius, E. / Luttens, A. / Matricon, P. / Carlsson, J. / Lenders, S. / Konig, B. / Friedel, A. / Sjo, P. / ...Authors: Begnini, F. / Geschwindner, S. / Johansson, P. / Wissler, L. / Lewis, R.J. / Danelius, E. / Luttens, A. / Matricon, P. / Carlsson, J. / Lenders, S. / Konig, B. / Friedel, A. / Sjo, P. / Schiesser, S. / Kihlberg, J. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 239.9 KB | Display | ![]() |
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PDB format | ![]() | 191.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 7q6qC ![]() 7q6sC ![]() 7q8rC ![]() 7q96C ![]() 1zgkS S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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2 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 32064.867 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() #2: Chemical | ChemComp-92I / ( | #3: Chemical | ChemComp-CL / | ![]() #4: Water | ChemComp-HOH / | ![]() Has ligand of interest | Y | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.06 Å3/Da / Density % sol: 40.42 % |
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Crystal grow![]() | Temperature: 293 K / Method: vapor diffusion, sitting drop Details: Crystals were grown at 20 C in sitting drops using 200 nL of protein (11-13 mg/mL) and 200 nL of well solution (3.7-4.1 M ammonium acetate, 0.09 M sodium acetate pH 4.6 and 10 mM cadmium chloride). |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Sep 11, 2020 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.31→101.11 Å / Num. obs: 39248 / % possible obs: 74.2 % / Redundancy: 6.3 % / CC1/2: 1 / Net I/σ(I): 13 |
Reflection shell | Resolution: 2.31→2.54 Å / Num. unique obs: 741 / CC1/2: 0.54 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 1ZGK Resolution: 2.31→101.11 Å / Cor.coef. Fo:Fc: 0.942 / Cor.coef. Fo:Fc free: 0.919 / SU R Cruickshank DPI: 0.228 / Cross valid method: THROUGHOUT / σ(F): 0 / SU R Blow DPI: 0.237 / SU Rfree Blow DPI: 0.199 / SU Rfree Cruickshank DPI: 0.197
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Displacement parameters | Biso max: 155.37 Å2 / Biso mean: 63 Å2 / Biso min: 39.54 Å2
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Refine analyze | Luzzati coordinate error obs: 0.31 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 2.31→101.11 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.31→2.48 Å / Rfactor Rfree error: 0 / Total num. of bins used: 50
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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