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Open data
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Basic information
Entry | Database: PDB / ID: 7sao | ||||||
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Title | The CTI-homolog pacifastin | ||||||
![]() | Pacifastin | ||||||
![]() | TOXIN / CTI-homolog / pacifastin / CDP / cystine-dense peptides | ||||||
Function / homology | : ![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Gewe, M.M. / Strong, R.K. | ||||||
Funding support | 1items
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![]() | ![]() Title: Ex silico engineering of cystine-dense peptides yielding a potent bispecific T cell engager. Authors: Crook, Z.R. / Girard, E.J. / Sevilla, G.P. / Brusniak, M.Y. / Rupert, P.B. / Friend, D.J. / Gewe, M.M. / Clarke, M. / Lin, I. / Ruff, R. / Pakiam, F. / Phi, T.D. / Bandaranayake, A. / ...Authors: Crook, Z.R. / Girard, E.J. / Sevilla, G.P. / Brusniak, M.Y. / Rupert, P.B. / Friend, D.J. / Gewe, M.M. / Clarke, M. / Lin, I. / Ruff, R. / Pakiam, F. / Phi, T.D. / Bandaranayake, A. / Correnti, C.E. / Mhyre, A.J. / Nairn, N.W. / Strong, R.K. / Olson, J.M. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 20.7 KB | Display | ![]() |
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PDB format | ![]() | 11.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 812.7 KB | Display | ![]() |
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Full document | ![]() | 812.6 KB | Display | |
Data in XML | ![]() | 4 KB | Display | |
Data in CIF | ![]() | 4.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 7sapC ![]() 7sgqC ![]() 7sjqC ![]() 7sltC ![]() 7sncC ![]() 7sndC ![]() 1gl1S S: Starting model for refinement C: citing same article ( |
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Similar structure data | Similarity search - Function & homology ![]() |
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Links
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Assembly
Deposited unit | ![]()
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1 |
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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein/peptide | Mass: 3909.401 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() |
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#2: Chemical | ChemComp-CO / |
#3: Water | ChemComp-HOH / |
Has ligand of interest | Y |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.3 Å3/Da / Density % sol: 46.43 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop Details: JCSG+ Suite G15 (5 mM CoCl2, 5 mM CdCl2, 5 mM NiCl2, 0.1 M HEPES pH 7.5, 12% PEG 3350) |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU SATURN 944+ / Detector: CCD / Date: Oct 7, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54 Å / Relative weight: 1 |
Reflection | Resolution: 1.77→39.04 Å / Num. obs: 3176 / % possible obs: 85 % / Redundancy: 6.3 % / Rrim(I) all: 0.054 / Net I/σ(I): 30.48 |
Reflection shell | Resolution: 1.77→1.84 Å / Redundancy: 1.2 % / Rmerge(I) obs: 0.149 / Num. unique obs: 76 / % possible all: 85 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1GL1 Resolution: 1.77→39.04 Å / Cor.coef. Fo:Fc: 0.952 / Cor.coef. Fo:Fc free: 0.928 / SU B: 1.963 / SU ML: 0.062 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.14 / ESU R Free: 0.125 / 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: 80.48 Å2 / Biso mean: 18.336 Å2 / Biso min: 11.44 Å2
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Refinement step | Cycle: final / Resolution: 1.77→39.04 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.77→1.814 Å / Rfactor Rfree error: 0
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