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Open data
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Basic information
Entry | Database: PDB / ID: 3jtb | ||||||
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Title | Cu(II) N47S/F114N variant of Pseudomonas Aeruginosa Azurin | ||||||
![]() | Azurin | ||||||
![]() | TRANSPORT PROTEIN / CUPREDOXIN / AZURIN / GREEK KEY / BETA BARREL / ELECTRON TRANSFER / Copper / Disulfide bond / Electron transport / Metal-binding / Periplasm / Transport | ||||||
Function / homology | ![]() transition metal ion binding / periplasmic space / electron transfer activity / copper ion binding / zinc ion binding / identical protein binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Gao, Y.G. / Robinson, H. | ||||||
![]() | ![]() Title: Rationally tuning the reduction potential of a single cupredoxin beyond the natural range. Authors: Marshall, N.M. / Garner, D.K. / Wilson, T.D. / Gao, Y.G. / Robinson, H. / Nilges, M.J. / Lu, Y. | ||||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 108.9 KB | Display | ![]() |
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PDB format | ![]() | 84.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 455.9 KB | Display | ![]() |
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Full document | ![]() | 480.4 KB | Display | |
Data in XML | ![]() | 23.6 KB | Display | |
Data in CIF | ![]() | 31.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 3in0C ![]() 3in2C ![]() 3jt2C ![]() 4azuS C: citing same article ( S: Starting model for refinement |
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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: 13901.702 Da / Num. of mol.: 4 / Mutation: N47S, F114N Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Chemical | ChemComp-CU / #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.43 Å3/Da / Density % sol: 49.36 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 6 Details: 80mM sodium acetate, 0.24M calcium chloride, 0.24M lithium nitrate, 25% PEG 8000, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
-Data collection
Diffraction source | Source: ![]() ![]() ![]() |
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Detector | Type: ADSC QUANTUM 315 / Detector: CCD |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Relative weight: 1 |
Reflection | Resolution: 1.8→10 Å / Num. all: 43000 / Num. obs: 40118 / % possible obs: 87.3 % / Observed criterion σ(F): 0 / Redundancy: 7.8 % / Rmerge(I) obs: 0.077 / Net I/σ(I): 36.8 |
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Processing
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Refinement | Method to determine structure: AB INITIO Starting model: pdb entry 4AZU Resolution: 1.8→10 Å / Num. parameters: 11994 / Num. restraintsaints: 15863 / Cross valid method: FREE R / σ(F): 0 / Stereochemistry target values: ENGH AND HUBER Details: ANISOTROPIC SCALING APPLIED BY THE METHOD OF PARKIN, MOEZZI & HOPE, J.APPL.CRYST.28(1995)53-56
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Refine analyze | Num. disordered residues: 0 / Occupancy sum hydrogen: 0 / Occupancy sum non hydrogen: 3993 | |||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.8→10 Å
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Refine LS restraints |
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