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- PDB-6x1s: Structure of pHis Fab (SC1-1) in complex with pHis mimetic peptide -
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Open data
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Basic information
Entry | Database: PDB / ID: 6x1s | ||||||
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Title | Structure of pHis Fab (SC1-1) 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.L. / 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 | ![]() | 361.2 KB | Display | ![]() |
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PDB format | ![]() | 292.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 541 KB | Display | ![]() |
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Full document | ![]() | 557 KB | Display | |
Data in XML | ![]() | 72.2 KB | Display | |
Data in CIF | ![]() | 103.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6x1tC ![]() 6x1uC ![]() 6x1vC ![]() 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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1 | ![]()
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2 | ![]()
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3 | ![]()
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4 | ![]()
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Unit cell |
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Components
-Protein/peptide , 1 types, 4 molecules GIJK
#3: Protein/peptide | Mass: 1080.030 Da / Num. of mol.: 4 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) |
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-Antibody , 2 types, 8 molecules HACELBDF
#1: Antibody | Mass: 23908.674 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Antibody | Mass: 22693.100 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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-Non-polymers , 3 types, 1038 molecules ![](data/chem/img/MPD.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/HOH.gif)
#4: Chemical | ChemComp-MPD / ( #5: Chemical | #6: Water | ChemComp-HOH / | |
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-Details
Has ligand of interest | Y |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.59 Å3/Da / Density % sol: 52.52 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 6.29 Details: 35 % 2-methyl-2,4-pentanediol, 0.1 M MES pH 6.29, 0.2 M Lithium sulfate |
-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: Oct 15, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.03315 Å / Relative weight: 1 |
Reflection | Resolution: 1.65→46.72 Å / Num. obs: 230655 / % possible obs: 100 % / Redundancy: 6 % / Biso Wilson estimate: 19.8 Å2 / CC1/2: 0.856 / Rmerge(I) obs: 0.116 / Rpim(I) all: 0.05 / Rrim(I) all: 0.126 / Net I/σ(I): 14.5 |
Reflection shell | Resolution: 1.65→1.68 Å / Redundancy: 5.1 % / Rmerge(I) obs: 1.3 / Mean I/σ(I) obs: 1 / Num. unique obs: 11403 / CC1/2: 0.374 / Rpim(I) all: 0.613 / Rrim(I) all: 1.44 / % possible all: 99.5 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 5dtf Resolution: 1.65→46.72 Å / Cor.coef. Fo:Fc: 0.957 / Cor.coef. Fo:Fc free: 0.95 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.1 / ESU R Free: 0.097 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 107.38 Å2 / Biso mean: 23.44 Å2 / Biso min: 10.31 Å2
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Refinement step | Cycle: final / Resolution: 1.65→46.72 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.65→1.689 Å
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