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- PDB-6x1v: Structure of pHis Fab (SC44-8) in complex with pHis mimetic peptide -
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Open data
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Basic information
Entry | Database: PDB / ID: 6x1v | |||||||||
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Title | Structure of pHis Fab (SC44-8) in complex with pHis mimetic peptide | |||||||||
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![]() | IMMUNE SYSTEM / Anti-phosphohistidine antibody / post-translational modification | |||||||||
Biological species | ![]() ![]() synthetic construct (others) | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Kalagiri, R. / Stanfield, R. / Wilson, I.A. / Hunter, T. | |||||||||
Funding support | ![]()
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![]() | ![]() Title: Structural basis for differential recognition of phosphohistidine-containing peptides by 1-pHis and 3-pHis monoclonal antibodies. Authors: Kalagiri, R. / Stanfield, R.L. / Meisenhelder, J. / La Clair, J.J. / Fuhs, S.R. / Wilson, I.A. / Hunter, T. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 203 KB | Display | ![]() |
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PDB format | ![]() | 130 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 6x1sC ![]() 6x1tC ![]() 6x1uC ![]() 6x1wC ![]() 5dtfS 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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Unit cell |
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Components
#1: Antibody | Mass: 23008.285 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() | ||||
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#2: Antibody | Mass: 23417.227 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() | ||||
#3: Protein/peptide | Mass: 748.641 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: HP3- 3-Phosphotriazolylalanine / Source: (synth.) synthetic construct (others) | ||||
#4: Chemical | #5: Water | ChemComp-HOH / | Has ligand of interest | Y | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.07 Å3/Da / Density % sol: 40.5 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 9 / Details: 0.1 M Bicine pH 9.0, 30 % PEG6000 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Nov 22, 2019 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97946 Å / Relative weight: 1 |
Reflection | Resolution: 2.11→43.84 Å / Num. obs: 21391 / % possible obs: 95.8 % / Redundancy: 3.3 % / Biso Wilson estimate: 19.82 Å2 / CC1/2: 0.932 / Rmerge(I) obs: 0.185 / Rpim(I) all: 0.121 / Rrim(I) all: 0.222 / Net I/σ(I): 7.6 |
Reflection shell | Resolution: 2.11→2.14 Å / Redundancy: 2.8 % / Rmerge(I) obs: 0.835 / Mean I/σ(I) obs: 1.6 / Num. unique obs: 863 / CC1/2: 0.32 / Rpim(I) all: 0.643 / Rrim(I) all: 1.06 / % possible all: 79.2 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 5dtf Resolution: 2.11→39.8 Å / SU ML: 0.2522 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 22.8189 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 22.43 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.11→39.8 Å
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Refine LS restraints |
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LS refinement shell |
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