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- PDB-1b8l: Calcium-bound D51A/E101D/F102W Triple Mutant of Beta Carp Parvalbumin -
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Open data
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Basic information
Entry | Database: PDB / ID: 1b8l | ||||||
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Title | Calcium-bound D51A/E101D/F102W Triple Mutant of Beta Carp Parvalbumin | ||||||
![]() | PROTEIN (PARVALBUMIN) | ||||||
![]() | CALCIUM BINDING PROTEIN / EF-HAND PROTEINS / PARVALBUMIN / CALCIUM-BINDING | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Cates, M.S. / Berry, M.B. / Ho, E. / Li, Q. / Potter, J.D. / Phillips Jr., G.N. | ||||||
![]() | ![]() Title: Metal-ion affinity and specificity in EF-hand proteins: coordination geometry and domain plasticity in parvalbumin. Authors: Cates, M.S. / Berry, M.B. / Ho, E.L. / Li, Q. / Potter, J.D. / Phillips Jr., G.N. #1: ![]() Title: Restrained Least Squares Refinement of Native (Calcium) and Cadmium- Substituted Carp Parvalbumin Using X-Ray Crystallographic Data at 1.6 Angstrom Resolution Authors: Swain, A.L. / Kretsinger, R.H. / Amma, E.L. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 36.7 KB | Display | ![]() |
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PDB format | ![]() | 23.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 420.3 KB | Display | ![]() |
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Full document | ![]() | 420.7 KB | Display | |
Data in XML | ![]() | 8.1 KB | Display | |
Data in CIF | ![]() | 11.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1b8cC ![]() 1b8rC ![]() 1b9aC ![]() 5cpvS 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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Unit cell |
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Components
#1: Protein | Mass: 11431.790 Da / Num. of mol.: 1 / Mutation: D51A, E101D, F102W Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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#2: Chemical | ChemComp-CO3 / |
#3: Chemical | ChemComp-CA / |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.51 Å3/Da / Density % sol: 35.91 % Description: ALTERNATE CONFORMATION MODELED FOR SIDE CHAIN LYS 3 | ||||||||||||||||||||||||
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Crystal grow | pH: 6.9 Details: CRYSTALLIZATION CONDITIONS 40% PEG 4000, 50 MM CACL2, 50 M PH 7.0, 4 DEGREES C, pH 6.9 | ||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 4 ℃ / pH: 7 / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 110 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU RAXIS IIC / Detector: IMAGE PLATE / Date: Jun 3, 1998 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.7→40 Å / Num. obs: 9239 / % possible obs: 84.2 % / Redundancy: 2.3 % / Rmerge(I) obs: 0.038 |
Reflection | *PLUS % possible obs: 94 % / Rmerge(I) obs: 0.065 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 5CPV, AUTH A.L.SWAIN,R.H.KRETSINGER, E.L.AMMA Resolution: 1.7→40 Å / Num. parameters: 3903 / Num. restraintsaints: 3327 / Cross valid method: FREE R / σ(F): 0 / Stereochemistry target values: ENGH AND HUBER
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Solvent computation | Solvent model: MOEWS & KRETSINGER, J.MOL.BIOL.91(1973)201-2 | |||||||||||||||||||||||||||||||||
Refine analyze | Num. disordered residues: 1 / Occupancy sum hydrogen: 794 / Occupancy sum non hydrogen: 970 | |||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.7→40 Å
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Refine LS restraints |
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Software | *PLUS Name: SHELXL-97 / Classification: refinement | |||||||||||||||||||||||||||||||||
Refinement | *PLUS σ(F): 0 / % reflection Rfree: 11.7 % / Rfactor Rwork: 0.168 | |||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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