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- PDB-2y5t: Crystal structure of the pathogenic autoantibody CIIC1 in complex... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2y5t | ||||||
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Title | Crystal structure of the pathogenic autoantibody CIIC1 in complex with the triple-helical C1 peptide | ||||||
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![]() | IMMUNE SYSTEM / ANTIBODY / RHEUMATOID ARTHRITIS / ARTHRITOGENIC | ||||||
Function / homology | Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta![]() | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Dobritzsch, D. / Lindh, I. / Schneider, N. / Uysal, H. / Nandakumar, K.S. / Burkhardt, H. / Schneider, G. / Holmdahl, R. | ||||||
![]() | ![]() Title: Crystal Structure of an Arthritogenic Anticollagen Immune Complex. Authors: Dobritzsch, D. / Lindh, I. / Uysal, H. / Nandakumar, K.S. / Burkhardt, H. / Schneider, G. / Holmdahl, R. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 216.6 KB | Display | ![]() |
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PDB format | ![]() | 176 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 2vl5S S: Starting model for refinement |
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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
-Protein/peptide , 2 types, 3 molecules EGF
#3: Protein/peptide | Mass: 3073.250 Da / Num. of mol.: 2 / Fragment: C1-EPITOPE / Source method: obtained synthetically Details: TRIPLE-HELICAL SYNTHETIC PEPTIDE, CHAINS CROSSLINKED AT C-TERMINUS, CONTAINS C1-EPITOPE OF COLLAGEN TYPE II FROM MOUSE FLANKED BY GPO REPEATS Source: (synth.) ![]() ![]() #4: Protein/peptide | | Mass: 3551.835 Da / Num. of mol.: 1 / Fragment: C1-EPITOPE / Source method: obtained synthetically Details: TRIPLE-HELICAL SYNTHETIC PEPTIDE, CHAINS CROSSLINKED AT C-TERMINUS, CONTAINS C1-EPITOPE OF COLLAGEN TYPE II FROM MOUSE FLANKED BY GPO REPEATS Source: (synth.) ![]() ![]() |
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-Antibody , 2 types, 2 molecules AB
#1: Antibody | Mass: 24894.230 Da / Num. of mol.: 1 / Source method: isolated from a natural source Details: DISULFIDE BRIDGE BETWEEN A22 AND A96, A146 AND A201, A134 AND A218 A22 AND A96, A146 AND A201, A134 AND A218 Source: (natural) ![]() ![]() |
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#2: Antibody | Mass: 24059.471 Da / Num. of mol.: 1 / Source method: isolated from a natural source Details: DISULFIDE BRIDGE BETWEEN B23 AND B92, B138 AND B198 Source: (natural) ![]() ![]() |
-Non-polymers , 3 types, 296 molecules 




#5: Chemical | ChemComp-CL / | ||
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#6: Chemical | #7: Water | ChemComp-HOH / | |
-Details
Nonpolymer details | L-HYDROXYPRO |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.7 Å3/Da / Density % sol: 54 % / Description: NONE |
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Crystal grow | pH: 8 Details: 100 MM TRIS PH 8.0, 55-57% (V/V) 2-METHYL-2,4-PENTANEDIOL. |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Apr 12, 2010 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.979 Å / Relative weight: 1 |
Reflection | Resolution: 2.2→56.2 Å / Num. obs: 33244 / % possible obs: 99.9 % / Observed criterion σ(I): 2 / Redundancy: 5.2 % / Biso Wilson estimate: 38.5 Å2 / Rmerge(I) obs: 0.12 / Net I/σ(I): 11.5 |
Reflection shell | Resolution: 2.2→2.32 Å / Redundancy: 5.4 % / Rmerge(I) obs: 0.63 / Mean I/σ(I) obs: 2 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 2VL5 Resolution: 2.2→43.85 Å / Cor.coef. Fo:Fc: 0.952 / Cor.coef. Fo:Fc free: 0.925 / SU B: 12.386 / SU ML: 0.141 / Cross valid method: THROUGHOUT / ESU R: 0.227 / ESU R Free: 0.201 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.RESIDUES A223-233, E1-5, E32-34, F1-5, F33-38, G1-3, G28-34 ARE DISORDERED AND NOT VISIBLE IN THE MAP
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 16.984 Å2
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Refinement step | Cycle: LAST / Resolution: 2.2→43.85 Å
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Refine LS restraints |
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