+Open data
-Basic information
Entry | Database: PDB / ID: 1alw | ||||||
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Title | INHIBITOR AND CALCIUM BOUND DOMAIN VI OF PORCINE CALPAIN | ||||||
Components | CALPAIN | ||||||
Keywords | CALCIUM BINDING / CALMODULIN LIKE / DOMAIN OF CYSTEIN PROTEASE | ||||||
Function / homology | Function and homology information Degradation of the extracellular matrix / calpain complex / calcium-dependent cysteine-type endopeptidase activity / calcium ion binding / proteolysis / plasma membrane / cytoplasm Similarity search - Function | ||||||
Biological species | Sus scrofa (pig) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.03 Å | ||||||
Authors | Narayana, S.V.L. / Lin, G. | ||||||
Citation | Journal: Nat.Struct.Biol. / Year: 1997 Title: Crystal structure of calcium bound domain VI of calpain at 1.9 A resolution and its role in enzyme assembly, regulation, and inhibitor binding. Authors: Lin, G.D. / Chattopadhyay, D. / Maki, M. / Wang, K.K. / Carson, M. / Jin, L. / Yuen, P.W. / Takano, E. / Hatanaka, M. / DeLucas, L.J. / Narayana, S.V. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1alw.cif.gz | 86.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1alw.ent.gz | 64.7 KB | Display | PDB format |
PDBx/mmJSON format | 1alw.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1alw_validation.pdf.gz | 1.1 MB | Display | wwPDB validaton report |
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Full document | 1alw_full_validation.pdf.gz | 1.1 MB | Display | |
Data in XML | 1alw_validation.xml.gz | 16.1 KB | Display | |
Data in CIF | 1alw_validation.cif.gz | 22 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/al/1alw ftp://data.pdbj.org/pub/pdb/validation_reports/al/1alw | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (-0.3834, 0.923124, 0.029108), Vector: |
-Components
#1: Protein | Mass: 19883.477 Da / Num. of mol.: 2 / Fragment: INHIBITOR-BOUND CALCIUM BINDING DOMAIN VI Source method: isolated from a genetically manipulated source Source: (gene. exp.) Sus scrofa (pig) / Production host: Escherichia coli (E. coli) / References: UniProt: P04574 #2: Chemical | ChemComp-CA / #3: Chemical | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 2 |
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-Sample preparation
Crystal | Density Matthews: 2.48 Å3/Da / Density % sol: 50 % |
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Crystal grow | pH: 7.4 Details: PROTEIN WAS CRYSTALLIZED FROM 12% PEG6000 20 MM CACL2, 50 MM CACODYLATE BUFFER, PH7.4 |
Crystal grow | *PLUS Method: vapor diffusion, hanging drop |
Components of the solutions | *PLUS Common name: PEG6000 |
-Data collection
Diffraction | Mean temperature: 280 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RUH2R / Wavelength: 1.5418 |
Detector | Type: SIEMENS / Detector: AREA DETECTOR / Date: Feb 1, 1997 / Details: MIRRORS |
Radiation | Monochromator: NI FILTER / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.03→20 Å / Num. obs: 24588 / % possible obs: 92.3 % / Observed criterion σ(I): 2 / Redundancy: 3 % / Biso Wilson estimate: 31 Å2 / Rmerge(I) obs: 0.06 / Rsym value: 0.08 / Net I/σ(I): 4.5 |
Reflection shell | Resolution: 2.03→2.2 Å / Redundancy: 2 % / Rmerge(I) obs: 0.05 / Mean I/σ(I) obs: 3.5 / Rsym value: 0.26 / % possible all: 90 |
Reflection shell | *PLUS % possible obs: 90 % |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: S-CAMLD Resolution: 2.03→8 Å / Data cutoff high absF: 100000 / Data cutoff low absF: 0.001 / Cross valid method: THROUGHOUT / σ(F): 2
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Displacement parameters | Biso mean: 38 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.03→8 Å
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Refine LS restraints |
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Xplor file |
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Software | *PLUS Name: X-PLOR / Version: 3.5 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |