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Open data
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Basic information
Entry | Database: PDB / ID: 6uy3 | ||||||
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Title | Structure of anti-hCD33 conditional scFv with methotrexate | ||||||
![]() | Anti-CD33 conditional scFv | ||||||
![]() | ANTITUMOR PROTEIN / Conditional CAR / MTX / CD33 / conditional antibody | ||||||
Function / homology | METHOTREXATE / PHOSPHATE ION![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Kimberlin, C.R. / Park, S. | ||||||
![]() | ![]() Title: Direct control of CAR T cells through small molecule-regulated antibodies. Authors: Park, S. / Pascua, E. / Lindquist, K.C. / Kimberlin, C. / Deng, X. / Mak, Y.S.L. / Melton, Z. / Johnson, T.O. / Lin, R. / Boldajipour, B. / Abraham, R.T. / Pons, J. / Sasu, B.J. / Van ...Authors: Park, S. / Pascua, E. / Lindquist, K.C. / Kimberlin, C. / Deng, X. / Mak, Y.S.L. / Melton, Z. / Johnson, T.O. / Lin, R. / Boldajipour, B. / Abraham, R.T. / Pons, J. / Sasu, B.J. / Van Blarcom, T.J. / Chaparro-Riggers, 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 | ![]() | 78.6 KB | Display | ![]() |
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PDB format | ![]() | 45.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 349.7 KB | Display | ![]() |
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Full document | ![]() | 351 KB | Display | |
Data in XML | ![]() | 1.8 KB | Display | |
Data in CIF | ![]() | 5.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6uupSC 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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Unit cell |
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Components
#1: Antibody | Mass: 28447.072 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() | ||||||
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#2: Chemical | ChemComp-PO4 / | ||||||
#3: Chemical | ChemComp-GOL / #4: Chemical | ChemComp-MTX / | #5: Water | ChemComp-HOH / | Has ligand of interest | Y | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.47 Å3/Da / Density % sol: 50.16 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / Details: 0.15M Cesium chloride, 15% w/v PEG 3350 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Jun 12, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2→59.5 Å / Num. obs: 18953 / % possible obs: 99.26 % / Redundancy: 19 % / Biso Wilson estimate: 35.21 Å2 / CC1/2: 0.999 / Net I/σ(I): 21.68 |
Reflection shell | Resolution: 2→2.073 Å / Num. unique obs: 1883 / CC1/2: 0.645 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 6UUP Resolution: 2→59.5 Å / SU ML: 0.209 / Cross valid method: FREE R-VALUE / σ(F): 1.37 / Phase error: 24.8135
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 40.43 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2→59.5 Å
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Refine LS restraints |
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LS refinement shell |
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