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Open data
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Basic information
Entry | Database: PDB / ID: 3aig | |||||||||
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Title | ADAMALYSIN II WITH PEPTIDOMIMETIC INHIBITOR POL656 | |||||||||
![]() | ADAMALYSIN II![]() | |||||||||
![]() | HYDROLASE/HYDROLASE INHIBITOR / SNAKE VENOM METALLOENDOPETIDASE / ZINC PROTEASE / ![]() | |||||||||
Function / homology | ![]() ![]() ![]() ![]() ![]() Similarity search - Function | |||||||||
Biological species | ![]() ![]() | |||||||||
Method | ![]() ![]() | |||||||||
![]() | Gomis-Rueth, F.X. / Meyer, E.F. / Kress, L.F. / Politi, V. | |||||||||
![]() | ![]() Title: Structures of adamalysin II with peptidic inhibitors. Implications for the design of tumor necrosis factor alpha convertase inhibitors. Authors: Gomis-Ruth, F.X. / Meyer, E.F. / Kress, L.F. / Politi, V. #1: ![]() Title: Refined 2.0 A X-Ray Crystal Structure of the Snake Venom Zinc-Endopeptidase Adamalysin II. Primary and Tertiary Structure Determination, Refinement, Molecular Structure and Comparison with ...Title: Refined 2.0 A X-Ray Crystal Structure of the Snake Venom Zinc-Endopeptidase Adamalysin II. Primary and Tertiary Structure Determination, Refinement, Molecular Structure and Comparison with Astacin, Collagenase and Thermolysin Authors: Gomis-Ruth, F.X. / Kress, L.F. / Kellermann, J. / Mayr, I. / Lee, X. / Huber, R. / Bode, W. #2: ![]() Title: First Structure of a Snake Venom Metalloproteinase: A Prototype for Matrix Metalloproteinases/Collagenases Authors: Gomis-Ruth, F.X. / Kress, L.F. / Bode, W. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 49.1 KB | Display | ![]() |
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PDB format | ![]() | 35.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 2aigC ![]() 1iagS 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
-Protein , 1 types, 1 molecules A
#1: Protein | ![]() Mass: 23152.488 Da / Num. of mol.: 1 / Source method: isolated from a natural source Source: (natural) ![]() ![]() Secretion: VENOM References: ![]() ![]() |
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-Non-polymers , 5 types, 133 molecules ![](data/chem/img/ZN.gif)
![](data/chem/img/CA.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/0ZC.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/CA.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/0ZC.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-ZN / |
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#3: Chemical | ChemComp-CA / |
#4: Chemical | ChemComp-SO4 / ![]() |
#5: Chemical | ChemComp-0ZC / ( |
#6: Water | ChemComp-HOH / ![]() |
-Details
Sequence details | THE SEQUENCE USED IN THIS ENTRY WAS DETERMINEDSource details | THE N-TERMINUS WAS BLOCKED AGAINST AMINOPEPTIDASE ACTIVITY BY GLUTAMINE CYCLIZATION TO RENDER ...THE N-TERMINUS WAS BLOCKED AGAINST AMINOPEPTI | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.26 Å3/Da / Density % sol: 62.22 % |
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Crystal grow![]() | Details: 1.8 M AMMONIUM SULFATE |
Crystal grow | *PLUS pH: 5 / Method: unknown / Details: Gomis-Ruth, F.X., (1993) Embo J., 12, 4151. |
Components of the solutions | *PLUS Conc.: 1.8 M / Common name: ammonium sulfate |
-Data collection
Diffraction source | Source: ![]() |
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Detector | Type: ENRAF-NONIUS FAST / Detector: DIFFRACTOMETER |
Radiation | Monochromator: NI-FILTER / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.5→20 Å / Num. obs: 8311 / % possible obs: 78.9 % / Observed criterion σ(I): 2 / Redundancy: 2.2 % / Rmerge(I) obs: 0.12 / Net I/σ(I): 4.4 |
Reflection shell | Resolution: 2.5→2.63 Å / % possible all: 45.7 |
Reflection | *PLUS Num. measured all: 18531 |
Reflection shell | *PLUS % possible obs: 45.7 % / Redundancy: 1.7 % / Num. unique obs: 680 / Num. measured obs: 1153 / Rmerge(I) obs: 0.32 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: NATIVE ADAMALYSIN II (PDB ENTRY 1IAG) Resolution: 2.8→7 Å / σ(F): 2 /
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Refinement step | Cycle: LAST / Resolution: 2.8→7 Å
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Refine LS restraints |
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