+Open data
-Basic information
Entry | Database: PDB / ID: 1qtx | ||||||
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Title | THE 1.65 ANGSTROM STRUCTURE OF CALMODULIN RS20 PEPTIDE COMPLEX | ||||||
Components |
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Keywords | SIGNALING PROTEIN / CALMODULIN / CALCIUM BINDING / HELIX-LOOP-HELIX / SIGNALING / COMPLEX (CALCIUM- BINDING PROTEIN-PEPTIDE) | ||||||
Function / homology | Function and homology information tonic smooth muscle contraction / myosin-light-chain kinase / myosin light chain kinase activity / muscle structure development / cleavage furrow / stress fiber / lamellipodium / calmodulin binding / phosphorylation / calcium ion binding ...tonic smooth muscle contraction / myosin-light-chain kinase / myosin light chain kinase activity / muscle structure development / cleavage furrow / stress fiber / lamellipodium / calmodulin binding / 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: 1.65 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 | 1qtx.cif.gz | 60.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1qtx.ent.gz | 43 KB | Display | PDB format |
PDBx/mmJSON format | 1qtx.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1qtx_validation.pdf.gz | 436.2 KB | Display | wwPDB validaton report |
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Full document | 1qtx_full_validation.pdf.gz | 438.3 KB | Display | |
Data in XML | 1qtx_validation.xml.gz | 13.4 KB | Display | |
Data in CIF | 1qtx_validation.cif.gz | 19.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/qt/1qtx ftp://data.pdbj.org/pub/pdb/validation_reports/qt/1qtx | HTTPS FTP |
-Related structure data
Related structure data | 1qs7C 1vrmS 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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Unit cell |
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-Components
#1: Protein | Mass: 16642.271 Da / Num. of mol.: 1 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 | ||
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#2: Protein/peptide | Mass: 2299.686 Da / Num. of mol.: 1 Fragment: CALMODULIN BINDING REGION FROM SMOOTH MUSCLE/NONMUSCLE MYOSIN LIGHT CHAIN KINASE Source method: obtained synthetically Details: PEPTIDE ANALOG OF THE CALMODULIN RECOGNITION REGION OF CHICKEN SMOOTH MUSCLE/ NONMUSCLE MYOSIN LIGHT CHAIN KINASE References: UniProt: P11799 | ||
#3: Chemical | ChemComp-CA / #4: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 3 |
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-Sample preparation
Crystal | Density Matthews: 2.11 Å3/Da / Density % sol: 41.8 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 4.6 Details: 20% (W/V) PEG 8000, 100 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 |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RU200 / Wavelength: 1.5418 | ||||||||||||||||||||
Detector |
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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: 1.53→30 Å / Num. all: 166836 / Num. obs: 19966 / % possible obs: 79.3 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Redundancy: 8.4 % / Biso Wilson estimate: 19.6 Å2 / Rmerge(I) obs: 0.105 / Net I/σ(I): 19.6 | ||||||||||||||||||||
Reflection shell | Resolution: 1.65→1.68 Å / Redundancy: 5.5 % / Rmerge(I) obs: 0.221 / Mean I/σ(I) obs: 6.9 / % possible all: 59.4 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1VRM CHAIN A AND CHAIN B Resolution: 1.65→29.595 Å / Rfactor Rfree error: 0.005 / Data cutoff high absF: 1176942.78 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): -3 Stereochemistry target values: ENGH, R.A. AND HUBER, R. (1991). ACTA CRYST. A47, 392-400.
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Displacement parameters | Biso mean: 22.2 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.65→29.595 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.65→1.69 Å / Rfactor Rfree error: 0.028 / Total num. of bins used: 16
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Xplor file |
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