+Open data
-Basic information
Entry | Database: PDB / ID: 1qs7 | ||||||
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Title | The 1.8 angstrom structure of calmodulin rs20 peptide complex | ||||||
Components |
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Keywords | METAL BINDING PROTEIN/PEPTIDE / CALMODULIN / CALCIUM BINDING / HELIX-LOOP-HELIX / SIGNALLING / COMPLEX(CALCIUM-BINDING PROTEIN-PEPTIDE) / METAL BINDING PROTEIN-PEPTIDE COMPLEX | ||||||
Function / homology | Function and homology information tonic smooth muscle contraction / myosin-light-chain kinase / myosin light chain kinase activity / muscle structure development / cleavage furrow / smooth muscle contraction / stress fiber / lamellipodium / calmodulin binding / protein kinase activity ...tonic smooth muscle contraction / myosin-light-chain kinase / myosin light chain kinase activity / muscle structure development / cleavage furrow / smooth muscle contraction / stress fiber / lamellipodium / calmodulin binding / protein kinase activity / phosphorylation / calcium ion binding / ATP binding / metal ion binding / cytoplasm / cytosol Similarity search - Function | ||||||
Biological species | Escherichia coli (E. coli) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 1.8 Å | ||||||
Authors | Weigand, S. / Anderson, W.F. | ||||||
Citation | Journal: To be Published Title: High Resolution Structure of a Calmodulin Rs20 Peptide Complex Authors: Weigand, S. / Shuvalova, L. / Lukas, T.J. / Mirzoeva, S. / Watterson, D.M. / Anderson, W.F. #1: Journal: Biochemistry / Year: 1999 Title: Analysis of the Functional Coupling between Calmodulin's Calcium Binding and Peptide Recognition Properties Authors: Mirzoeva, S. / Weigand, S. / Lukas, T.J. / Shuvalova, L. / Anderson, W.F. / Watterson, D.M. #2: Journal: Science / Year: 1992 Title: Target Enzyme Recognition by Calmodulin: 2.4 A Structure of a Calmodulin- Peptide Complex Authors: Meador, W.E. / Means, A.R. / Quiocho, F.A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1qs7.cif.gz | 88.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1qs7.ent.gz | 64.8 KB | Display | PDB format |
PDBx/mmJSON format | 1qs7.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1qs7_validation.pdf.gz | 457.1 KB | Display | wwPDB validaton report |
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Full document | 1qs7_full_validation.pdf.gz | 461.3 KB | Display | |
Data in XML | 1qs7_validation.xml.gz | 18.1 KB | Display | |
Data in CIF | 1qs7_validation.cif.gz | 25.3 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/qs/1qs7 ftp://data.pdbj.org/pub/pdb/validation_reports/qs/1qs7 | HTTPS FTP |
-Related structure data
Related structure data | 1qtxC 1vrkS S: Starting model for refinement C: citing same article (ref.) |
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Similar 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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-Components
#1: Protein | Mass: 16327.974 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (E. coli) / Description: Synthetic Construct / Plasmid: PVUCH-1 / Production host: Escherichia coli (E. coli) / Strain (production host): UT481 / References: GenBank: 208092, UniProt: A0MMD0*PLUS #2: Protein/peptide | Mass: 2327.696 Da / Num. of mol.: 2 / Source method: obtained synthetically Details: PEPTIDE ANALOG OF THE CALMODULIN RECOGNITION REGION OF CHICKEN SMOOTH MUSCLE/ NONMUSCLE MYOSIN LIGHT CHAIN KINASE References: UniProt: P19038, UniProt: P11799*PLUS #3: Chemical | ChemComp-CA / #4: Water | ChemComp-HOH / | Compound details | THE PRESENCE OR ABSENCE OF THE FORMYL BLOCKING GROUP ON TRYPTOPHAN-4 OF THE PEPTIDE HAS NO EFFECT ...THE PRESENCE OR ABSENCE OF THE FORMYL BLOCKING GROUP ON TRYPTOPHAN | |
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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: 1.94 Å3/Da / Density % sol: 36.6 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 4.6 Details: 20% (W/V) PEG 8000, 50 MM SODIUM ACETATE 5 MM CALCIUM CHLORIDE 0.01% (W/V) SODIUM AZIDE, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
-Data collection
Diffraction | Mean temperature: 107 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RU200 / Wavelength: 1.5418 |
Detector | Type: RIGAKU RAXIS IIC / Detector: IMAGE PLATE / Date: Mar 7, 1995 / Details: COLLIMATOR |
Radiation | Monochromator: FILTER / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.59→28.87 Å / Num. all: 39297 / Num. obs: 32557 / % possible obs: 82.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Redundancy: 3.3 % / Biso Wilson estimate: 24 Å2 / Rmerge(I) obs: 0.042 / Net I/σ(I): 24 |
Reflection shell | Resolution: 1.59→1.84 Å / Redundancy: 3.4 % / Rmerge(I) obs: 0.16 / Mean I/σ(I) obs: 8.6 / % possible all: 91.8 |
-Processing
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1VRK Resolution: 1.8→28.87 Å / Rfactor Rfree error: 0.005 / Data cutoff high absF: 1057648.92 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 Stereochemistry target values: ENGH, R.A. AND HUBER, R. (1991). ACTA CRYST. A47, 392-400.
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Displacement parameters | Biso mean: 26 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.8→28.87 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.8→1.85 Å / Rfactor Rfree error: 0.032 / Total num. of bins used: 14
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Xplor file |
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