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Open data
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Basic information
Entry | Database: PDB / ID: 1a4k | ||||||
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Title | DIELS ALDER CATALYTIC ANTIBODY WITH TRANSITION STATE ANALOGUE | ||||||
![]() | (ANTIBODY FAB) x 2 | ||||||
![]() | IMMUNOGLOBULIN / ANTIBODY / CATALYTIC ANTIBODY / DIELS ALDER / GERMLINE | ||||||
Function / homology | ![]() IgD immunoglobulin complex / IgM immunoglobulin complex / IgA immunoglobulin complex / IgE immunoglobulin complex / CD22 mediated BCR regulation / IgG immunoglobulin complex / Fc epsilon receptor (FCERI) signaling / Classical antibody-mediated complement activation / Initial triggering of complement / FCGR activation ...IgD immunoglobulin complex / IgM immunoglobulin complex / IgA immunoglobulin complex / IgE immunoglobulin complex / CD22 mediated BCR regulation / IgG immunoglobulin complex / Fc epsilon receptor (FCERI) signaling / Classical antibody-mediated complement activation / Initial triggering of complement / FCGR activation / immunoglobulin mediated immune response / Role of phospholipids in phagocytosis / Role of LAT2/NTAL/LAB on calcium mobilization / Scavenging of heme from plasma / FCERI mediated Ca+2 mobilization / FCGR3A-mediated IL10 synthesis / Antigen activates B Cell Receptor (BCR) leading to generation of second messengers / Regulation of Complement cascade / Cell surface interactions at the vascular wall / FCERI mediated MAPK activation / FCGR3A-mediated phagocytosis / antigen binding / B cell receptor signaling pathway / Regulation of actin dynamics for phagocytic cup formation / FCERI mediated NF-kB activation / Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell / adaptive immune response / Potential therapeutics for SARS / blood microparticle / immune response / extracellular space / extracellular exosome / extracellular region / plasma membrane Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Spiller, B.W. / Romesburg, F.E. / Schultz, P.G. / Stevens, R.C. | ||||||
![]() | ![]() Title: Immunological origins of binding and catalysis in a Diels-Alderase antibody. Authors: Romesberg, F.E. / Spiller, B. / Schultz, P.G. / Stevens, R.C. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 178.9 KB | Display | ![]() |
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PDB format | ![]() | 144.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 949.8 KB | Display | ![]() |
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Full document | ![]() | 998.2 KB | Display | |
Data in XML | ![]() | 39.9 KB | Display | |
Data in CIF | ![]() | 54.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1a4jC ![]() 1tetS 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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Unit cell |
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Components
#1: Antibody | Mass: 23732.557 Da / Num. of mol.: 2 / Fragment: FAB Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Antibody | Mass: 23593.459 Da / Num. of mol.: 2 / Fragment: FAB Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #3: Chemical | ChemComp-CD / #4: Chemical | #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.06 Å3/Da / Density % sol: 52 % | |||||||||||||||||||||||||||||||||||
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Crystal grow | pH: 8 Details: 17% PEG 8K, 200MM (NH4)2SO4, 10MM CDS0 100MM TRIS PH 8.0 | |||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 4 ℃ / Method: vapor diffusion, hanging drop | |||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Nov 1, 1996 / Details: WIGGLER |
Radiation | Monochromator: MONOCHROMATOR / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.87 Å / Relative weight: 1 |
Reflection | Resolution: 2.4→20 Å / Num. obs: 45827 / % possible obs: 99.6 % / Observed criterion σ(I): 2 / Redundancy: 5.3 % / Biso Wilson estimate: 45.7 Å2 / Rsym value: 0.047 / Net I/σ(I): 21 |
Reflection shell | Resolution: 2.4→2.49 Å / Redundancy: 3.6 % / Mean I/σ(I) obs: 6 / Rsym value: 0.12 / % possible all: 99.8 |
Reflection | *PLUS Num. measured all: 243063 / Rmerge(I) obs: 0.047 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1TET Resolution: 2.4→20 Å / Cross valid method: THROUGHOUT / σ(F): 2
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Displacement parameters | Biso mean: 41.5 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.4→20 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.4→2.51 Å / Total num. of bins used: 8
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Xplor file |
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Software | *PLUS Name: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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