+Open data
-Basic information
Entry | Database: PDB / ID: 3ply | ||||||
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Title | Structure of Oxidized P96G Mutant of Amicyanin | ||||||
Components | Amicyanin | ||||||
Keywords | ELECTRON TRANSPORT / type-I blue copper protein / beta sandwich / metal-binding | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Paracoccus denitrificans (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.2 Å | ||||||
Authors | Sukumar, N. / Davidson, V.L. | ||||||
Citation | Journal: Biochemistry / Year: 2011 Title: Proline 96 of the copper ligand loop of amicyanin regulates electron transfer from methylamine dehydrogenase by positioning other residues at the protein-protein interface. Authors: Choi, M. / Sukumar, N. / Mathews, F.S. / Liu, A. / Davidson, V.L. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3ply.cif.gz | 182 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3ply.ent.gz | 145.8 KB | Display | PDB format |
PDBx/mmJSON format | 3ply.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/pl/3ply ftp://data.pdbj.org/pub/pdb/validation_reports/pl/3ply | HTTPS FTP |
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-Related structure data
Related structure data | 1aacS S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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3 |
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4 |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments:
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-Components
-Protein , 1 types, 4 molecules ABCD
#1: Protein | Mass: 11465.108 Da / Num. of mol.: 4 / Fragment: UNP residues 27-131 / Mutation: P96G Source method: isolated from a genetically manipulated source Source: (gene. exp.) Paracoccus denitrificans (bacteria) / Gene: ami, mauC / Plasmid: pMEG / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 / References: UniProt: P22364 |
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-Non-polymers , 5 types, 189 molecules
#2: Chemical | ChemComp-CU / #3: Chemical | #4: Chemical | #5: Chemical | ChemComp-K / | #6: Water | ChemComp-HOH / | |
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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: 3.27 Å3/Da / Density % sol: 62.44 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: 1.8M sodium/potassium phosphate pH 7.5, 40mM ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 24-ID-C / Wavelength: 1.14 Å |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.14 Å / Relative weight: 1 |
Reflection | Resolution: 2.2→50 Å / Num. obs: 30860 / % possible obs: 99.8 % / Redundancy: 7.2 % / Rmerge(I) obs: 0.069 / Net I/σ(I): 23.2 |
Reflection shell | Resolution: 2.2→2.28 Å / Redundancy: 7.3 % / Rmerge(I) obs: 0.557 / Mean I/σ(I) obs: 3.1 / Num. unique all: 3031 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 1AAC Resolution: 2.2→50 Å / SU ML: 0.39 / Cross valid method: THROUGHOUT / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.83 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 67.425 Å2 / ksol: 0.348 e/Å3 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters |
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Refinement step | Cycle: LAST / Resolution: 2.2→50 Å
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Refine LS restraints |
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Refine LS restraints NCS |
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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