+Open data
-Basic information
Entry | Database: PDB / ID: 1aj5 | ||||||
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Title | CALPAIN DOMAIN VI APO | ||||||
Components | CALPAIN | ||||||
Keywords | CALCIUM-BINDING PROTEIN / CALCIUM-DEPENDENT PROTEASE / APO FORM / SMALL SUBUNIT | ||||||
Function / homology | Function and homology information Degradation of the extracellular matrix / calpain complex / calcium-dependent cysteine-type endopeptidase activity / protein catabolic process / calcium ion binding / protein-containing complex binding / membrane / plasma membrane / cytosol Similarity search - Function | ||||||
Biological species | Rattus norvegicus (Norway rat) | ||||||
Method | X-RAY DIFFRACTION / MAD / Resolution: 2.3 Å | ||||||
Authors | Cygler, M. / Grochulski, P. / Blanchard, H. | ||||||
Citation | Journal: Nat.Struct.Biol. / Year: 1997 Title: Structure of a calpain Ca(2+)-binding domain reveals a novel EF-hand and Ca(2+)-induced conformational changes. Authors: Blanchard, H. / Grochulski, P. / Li, Y. / Arthur, J.S. / Davies, P.L. / Elce, J.S. / Cygler, M. #1: Journal: Protein Sci. / Year: 1996 Title: Ca(2+)-Binding Domain Vi of Rat Calpain is a Homodimer in Solution: Hydrodynamic, Crystallization and Preliminary X-Ray Diffraction Studies Authors: Blanchard, H. / Li, Y. / Cygler, M. / Kay, C.M. / Arthur, J.S. / Davies, P.L. / Elce, J.S. #2: Journal: J.Biol.Chem. / Year: 1994 Title: Active Recombinant Rat Calpain II. Bacterially Produced Large and Small Subunits Associate Both in Vivo and in Vitro Authors: Graham-Siegenthaler, K. / Gauthier, S. / Davies, P.L. / Elce, J.S. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1aj5.cif.gz | 83.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1aj5.ent.gz | 63.3 KB | Display | PDB format |
PDBx/mmJSON format | 1aj5.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1aj5_validation.pdf.gz | 433.7 KB | Display | wwPDB validaton report |
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Full document | 1aj5_full_validation.pdf.gz | 438.7 KB | Display | |
Data in XML | 1aj5_validation.xml.gz | 15.8 KB | Display | |
Data in CIF | 1aj5_validation.cif.gz | 21.7 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/aj/1aj5 ftp://data.pdbj.org/pub/pdb/validation_reports/aj/1aj5 | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (0.055906, -0.998257, -0.018923), Vector: Details | THERE ARE TWO INDEPENDENT "PHYSIOLOGICAL" DIMERS OF THE SAME TYPE: AA' AND BB'. A AND A' ARE RELATED BY CRYSTALLOGRAPHIC TWO-FOLD SYMMETRY ALONG THE X AXIS. B AND B' ARE RELATED BY CRYSTALLOGRAPHIC TWO-FOLD SYMMETRY ALONG Y AXIS AND TRANSLATED BY VECTOR (1.0,0.0,0.5). THE DIMERS ARE RELATED BY THE NCS SYMMETRY. | |
-Components
#1: Protein | Mass: 20027.633 Da / Num. of mol.: 2 Fragment: SMALL REGULATORY SUBUNIT, DOMAIN VI, MET 87 - SER 270 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Rattus norvegicus (Norway rat) / Strain: BL21 (DE3) / Cell line: BL21 / Gene: CAPN4 / Organ: LIVER / Plasmid: PT7-7F-21K / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21 (DE3) / References: UniProt: Q64537 #2: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.3 Å3/Da / Density % sol: 46 % | ||||||||||||||||||||
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Crystal grow | pH: 6.8 Details: 38%SATURATED AMMONIUM SULFATE AND 25MM PIPES BUFFER, PH 6.8 | ||||||||||||||||||||
Crystal grow | *PLUS Method: unknown | ||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 110 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU / Wavelength: 1.5418 |
Detector | Type: RIGAKU / Detector: IMAGE PLATE / Date: Jun 24, 1996 / Details: COLLIMATOR |
Radiation | Monochromator: GRAPHITE(002) / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.3→40 Å / Num. obs: 17172 / % possible obs: 97.7 % / Observed criterion σ(I): 1 / Redundancy: 4.7 % / Biso Wilson estimate: 29.7 Å2 / Rmerge(I) obs: 0.04 / Net I/σ(I): 23 |
Reflection shell | Resolution: 2.3→2.4 Å / Rmerge(I) obs: 0.19 / % possible all: 94 |
Reflection | *PLUS Num. measured all: 80668 |
Reflection shell | *PLUS % possible obs: 94.2 % |
-Processing
Software |
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Refinement | Method to determine structure: MAD / Resolution: 2.3→8 Å / Rfactor Rfree error: 0.008 / Data cutoff high absF: 10000000 / Data cutoff low absF: 0.001 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 2 / Details: NCS USED ONLY AT THE EARLY STAGE OF REFINEMENT
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Displacement parameters | Biso mean: 33.8 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.3→8 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.3→2.44 Å / Rfactor Rfree error: 0.02 / Total num. of bins used: 6
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Xplor file |
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Software | *PLUS Name: X-PLOR / Version: 3.843 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Rfactor obs: 0.28 |