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Yorodumi- PDB-3omn: Catalytic core subunits (I and II) of cytochrome C oxidase from R... -
+Open data
-Basic information
Entry | Database: PDB / ID: 3omn | ||||||
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Title | Catalytic core subunits (I and II) of cytochrome C oxidase from Rhodobacter sphaeroides with D132A mutation in the reduced state | ||||||
Components | (Cytochrome c ...) x 2 | ||||||
Keywords | OXIDOREDUCTASE / TRANSMEMBRANE PROTEIN COMPLEX | ||||||
Function / homology | Function and homology information respiratory chain complex IV / cytochrome-c oxidase / oxidative phosphorylation / electron transport coupled proton transport / cytochrome-c oxidase activity / respirasome / copper ion binding / heme binding / metal ion binding / plasma membrane Similarity search - Function | ||||||
Biological species | Rhodobacter sphaeroides 2.4.1 (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.15 Å | ||||||
Authors | Liu, J. / Qin, L. / Ferguson-Miller, S. | ||||||
Citation | Journal: Proc.Natl.Acad.Sci.USA / Year: 2011 Title: Crystallographic and online spectral evidence for role of conformational change and conserved water in cytochrome oxidase proton pump. Authors: Liu, J. / Qin, L. / Ferguson-Miller, S. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3omn.cif.gz | 347.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3omn.ent.gz | 292.4 KB | Display | PDB format |
PDBx/mmJSON format | 3omn.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/om/3omn ftp://data.pdbj.org/pub/pdb/validation_reports/om/3omn | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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-Components
-Cytochrome c ... , 2 types, 4 molecules ACBD
#1: Protein | Mass: 59496.344 Da / Num. of mol.: 2 / Fragment: UNP RESIDUES 17-551 / Mutation: D132A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Rhodobacter sphaeroides 2.4.1 (bacteria) Strain: ATCC 17023/2.4.1/NCIB 8253/DSM 158 / Gene: coxI, CTAD, RHOS4_04590, RSP_1877 / Plasmid: pRK415-1 / Production host: Rhodobacter sphaeroides (bacteria) / Strain (production host): Rhodobacter sphaeroides / References: UniProt: Q3J5A7, cytochrome-c oxidase #2: Protein | Mass: 28617.637 Da / Num. of mol.: 2 / Fragment: UNP RESIDUES 30-281 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Rhodobacter sphaeroides 2.4.1 (bacteria) Strain: ATCC 17023/2.4.1/NCIB 8253/DSM 158 / Gene: coxII, CTAB, CTAC, RHOS4_04060, RSP_1826 / Plasmid: pRK415-1 / Production host: Rhodobacter sphaeroides (bacteria) / Strain (production host): Rhodobacter sphaeroides / References: UniProt: Q3J5G0, cytochrome-c oxidase |
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-Sugars , 1 types, 11 molecules
#4: Sugar | ChemComp-DMU / |
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-Non-polymers , 10 types, 492 molecules
#3: Chemical | #5: Chemical | ChemComp-TRD / #6: Chemical | ChemComp-HEA / #7: Chemical | ChemComp-CU1 / #8: Chemical | #9: Chemical | #10: Chemical | #11: Chemical | ChemComp-HTH / ( | #12: Chemical | ChemComp-CD / #13: Water | ChemComp-HOH / | |
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-Details
Nonpolymer details | LIGANDS LABELLED AS TRD ARE ALL ALKYL CHAINS WITH DIFFERENT LENGTHS OF EITHER DMU OR NATIVE ...LIGANDS LABELLED AS TRD ARE ALL ALKYL CHAINS WITH DIFFERENT LENGTHS OF EITHER DMU OR NATIVE MEMBRANE LIPIDS SUCH AS PHOSPHATID |
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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: 4.12 Å3/Da / Density % sol: 70.12 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, sitting drop / pH: 6.3 Details: 26-29% PEG-400, pH 6.3, VAPOR DIFFUSION, SITTING DROP, reduced by dithionite, temperature 277K |
-Data collection
Diffraction | Mean temperature: 100 K | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 21-ID-G / Wavelength: 0.97856 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Detector | Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Feb 2, 2009 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation | Monochromator: Diamond / Protocol: SINGLE WEAVELENGTH / Scattering type: x-ray | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 0.97856 Å / Relative weight: 1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection | Resolution: 2.15→50 Å / Num. obs: 153760 / % possible obs: 97.5 % / Redundancy: 7 % / Rmerge(I) obs: 0.086 / Χ2: 1.025 / Net I/σ(I): 11 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection shell |
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-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.15→42.7 Å / Cor.coef. Fo:Fc: 0.951 / Cor.coef. Fo:Fc free: 0.937 / WRfactor Rfree: 0.2189 / WRfactor Rwork: 0.1978 / Occupancy max: 1 / Occupancy min: 0.35 / FOM work R set: 0.8539 / SU B: 3.878 / SU ML: 0.103 / SU R Cruickshank DPI: 0.166 / SU Rfree: 0.1459 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R Free: 0.146 / Stereochemistry target values: MAXIMUM LIKELIHOOD
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 99.01 Å2 / Biso mean: 43.9531 Å2 / Biso min: 8.39 Å2
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Refinement step | Cycle: LAST / Resolution: 2.15→42.7 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.15→2.206 Å / Total num. of bins used: 20
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