+Open data
-Basic information
Entry | Database: PDB / ID: 2aju | ||||||
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Title | Cyrstal structure of cocaine catalytic antibody 7A1 Fab' | ||||||
Components | (ANTIBODY 7A1 FAB') x 2 | ||||||
Keywords | IMMUNE SYSTEM / CATALYTIC Antibody / Fab / COCAINE / HYDROLYTIC | ||||||
Function / homology | Function and homology information IgG immunoglobulin complex / B cell differentiation / extracellular region / plasma membrane Similarity search - Function | ||||||
Biological species | Mus musculus (house mouse) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.5 Å | ||||||
Authors | Zhu, X. / Wilson, I.A. | ||||||
Citation | Journal: Structure / Year: 2006 Title: Complete reaction cycle of a cocaine catalytic antibody at atomic resolution. Authors: Zhu, X. / Dickerson, T.J. / Rogers, C.J. / Kaufmann, G.F. / Mee, J.M. / McKenzie, K.M. / Janda, K.D. / Wilson, I.A. | ||||||
History |
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Remark 999 | SEQUENCE The sequence of these proteins are not available at any sequence database at the time of processing. |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2aju.cif.gz | 199 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2aju.ent.gz | 158.8 KB | Display | PDB format |
PDBx/mmJSON format | 2aju.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/aj/2aju ftp://data.pdbj.org/pub/pdb/validation_reports/aj/2aju | HTTPS FTP |
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-Related structure data
Related structure data | 2ajsSC 2ajvC 2ajxC 2ajyC 2ajzC 2ak1C S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Antibody | Mass: 24059.611 Da / Num. of mol.: 1 / Fragment: IMMUNOGLOBULIN IGG1 KAPPA LIGHT CHAIN / Source method: isolated from a natural source / Source: (natural) Mus musculus (house mouse) / References: UniProt: P01837*PLUS |
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#2: Antibody | Mass: 23865.783 Da / Num. of mol.: 1 / Fragment: IMMUNOGLOBULIN IGG1 HEAVY CHAIN / Source method: isolated from a natural source / Source: (natural) Mus musculus (house mouse) / References: UniProt: Q5M842*PLUS |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.4 Å3/Da / Density % sol: 48.8 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, sitting drop / pH: 5.5 Details: PEG 4000, ammonium sulfate, sodium acetate, flavin adenine dinucleotide, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ALS / Beamline: 8.3.1 / Wavelength: 1.0332 Å |
Detector | Type: ADSC QUANTUM 210 / Detector: CCD / Date: Oct 10, 2003 |
Radiation | Monochromator: Double-crystal, Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.0332 Å / Relative weight: 1 |
Reflection | Resolution: 1.5→50 Å / Num. obs: 72464 / % possible obs: 99.5 % / Observed criterion σ(I): -3 / Rmerge(I) obs: 0.038 |
Reflection shell | Resolution: 1.5→1.55 Å / Rmerge(I) obs: 0.613 / % possible all: 97.4 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 2AJS Resolution: 1.5→39.84 Å / Cor.coef. Fo:Fc: 0.97 / Cor.coef. Fo:Fc free: 0.954 / SU B: 3.832 / SU ML: 0.063 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.094 / ESU R Free: 0.083 / Stereochemistry target values: MAXIMUM LIKELIHOOD
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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: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 28.575 Å2
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Refinement step | Cycle: LAST / Resolution: 1.5→39.84 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.499→1.538 Å / Total num. of bins used: 20 /
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