+Open data
-Basic information
Entry | Database: PDB / ID: 2cua | ||||||
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Title | THE CUA DOMAIN OF CYTOCHROME BA3 FROM THERMUS THERMOPHILUS | ||||||
Components | PROTEIN (CUA) | ||||||
Keywords | ELECTRON TRANSPORT / CUA CENTER | ||||||
Function / homology | Function and homology information cytochrome-c oxidase / cytochrome-c oxidase activity / respirasome / copper ion binding / plasma membrane Similarity search - Function | ||||||
Biological species | Thermus thermophilus (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MAD / Resolution: 1.6 Å | ||||||
Authors | Williams, P.A. / Blackburn, N.J. / Sanders, D. / Bellamy, H. / Stura, E.A. / Fee, J.A. / Mcree, D.E. | ||||||
Citation | Journal: Nat.Struct.Biol. / Year: 1999 Title: The CuA domain of Thermus thermophilus ba3-type cytochrome c oxidase at 1.6 A resolution. Authors: Williams, P.A. / Blackburn, N.J. / Sanders, D. / Bellamy, H. / Stura, E.A. / Fee, J.A. / McRee, D.E. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2cua.cif.gz | 96.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2cua.ent.gz | 69.4 KB | Display | PDB format |
PDBx/mmJSON format | 2cua.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/cu/2cua ftp://data.pdbj.org/pub/pdb/validation_reports/cu/2cua | HTTPS FTP |
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-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (0.0579, -0.444, -0.8942), Vector: |
-Components
#1: Protein | Mass: 14816.730 Da / Num. of mol.: 2 / Fragment: SOLUBLE CUA-CONTAINING DOMAIN Source method: isolated from a genetically manipulated source Source: (gene. exp.) Thermus thermophilus (bacteria) / Species (production host): Escherichia coli / Cellular location (production host): PERIPLASM / Production host: Escherichia coli BL21 (bacteria) / Strain (production host): BL21 / References: UniProt: P98052, cytochrome-c oxidase #2: Chemical | #3: Chemical | #4: Water | ChemComp-HOH / | Nonpolymer details | THE CUA CENTER COMPRISES TWO CU ATOMS DIRECTLY BONDED, ONE IS FORMALLY 1+ AND THE OTHER 2+ ZINC ...THE CUA CENTER COMPRISES TWO CU ATOMS DIRECTLY BONDED, ONE IS FORMALLY 1+ AND THE OTHER 2+ ZINC AIDED CRYSTALLIS | Sequence details | THE PROTEIN CRYSTALLIS | |
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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: 2.33 Å3/Da / Density % sol: 46 % | ||||||||||||||||||||||||||||
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Crystal grow | pH: 6.5 Details: 0.2-20% MPEG 5K 100MM NA CACODYLATE PH 6.5 1MM ZNCL2 | ||||||||||||||||||||||||||||
Crystal grow | *PLUS Method: unknown | ||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K | ||||||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: SSRL / Beamline: BL1-5 / Wavelength: 1.5498,1.3799,1.3780,1.3050,1.0 | ||||||||||||||||||
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Jan 1, 1998 | ||||||||||||||||||
Radiation | Protocol: MAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||||||||
Radiation wavelength |
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Reflection | Resolution: 1.6→20 Å / Num. obs: 30110 / % possible obs: 92.4 % / Redundancy: 1.8 % / Rmerge(I) obs: 0.063 / Rsym value: 0.063 / Net I/σ(I): 10.2 | ||||||||||||||||||
Reflection shell | Resolution: 1.6→1.7 Å / Redundancy: 1.2 % / Rmerge(I) obs: 0.093 / Mean I/σ(I) obs: 8.8 / Rsym value: 0.093 / % possible all: 73.2 | ||||||||||||||||||
Reflection | *PLUS Num. measured all: 119934 | ||||||||||||||||||
Reflection shell | *PLUS % possible obs: 73.2 % |
-Processing
Software |
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Refinement | Method to determine structure: MAD / Resolution: 1.6→50 Å / Num. parameters: 8752 / Cross valid method: THROUGHOUT / σ(F): 0 Details: N TERMINUS MAY BE IN A NON-NATIVE CONFORMATION DETERMINED BY THE CRYSTAL PACKING.
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Refinement step | Cycle: LAST / Resolution: 1.6→50 Å
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Refine LS restraints |
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Software | *PLUS Name: SHELXL-97 / Classification: refinement | |||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor obs: 0.226 / Rfactor Rfree: 0.296 | |||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |