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Yorodumi- PDB-2hit: Reaction centre from Rhodobacter sphaeroides strain R-26.1 comple... -
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Open data
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Basic information
| Entry | Database: PDB / ID: 2hit | ||||||
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| Title | Reaction centre from Rhodobacter sphaeroides strain R-26.1 complexed with dibrominated phosphatidylethanolamine | ||||||
Components | (Reaction center protein ...) x 3 | ||||||
Keywords | PHOTOSYNTHESIS/MEMBRANE PROTEIN / PHOTOSYNTHESIS / PHOTOSYNTHETIC REACTION CENTER / LIPID BINDING SITES / BROMINATED LIPIDS / MEMBRANE PROTEIN / PHOTOSYNTHESIS-MEMBRANE PROTEIN COMPLEX | ||||||
| Function / homology | Function and homology informationplasma membrane-derived chromatophore membrane / plasma membrane light-harvesting complex / bacteriochlorophyll binding / photosynthetic electron transport in photosystem II / photosynthesis, light reaction / : / metal ion binding Similarity search - Function | ||||||
| Biological species | Rhodobacter sphaeroides (bacteria) | ||||||
| Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.75 Å | ||||||
Authors | Roszak, A.W. / Gardiner, A.T. / Isaacs, N.W. / Cogdell, R.J. | ||||||
Citation | Journal: Biochemistry / Year: 2007Title: Brominated Lipids Identify Lipid Binding Sites on the Surface of the Reaction Center from Rhodobacter sphaeroides. Authors: Roszak, A.W. / Gardiner, A.T. / Isaacs, N.W. / Cogdell, R.J. | ||||||
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Structure visualization
| Structure viewer | Molecule: Molmil Jmol/JSmol |
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Downloads & links
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Download
| PDBx/mmCIF format | 2hit.cif.gz | 221.7 KB | Display | PDBx/mmCIF format |
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| PDB format | pdb2hit.ent.gz | 170 KB | Display | PDB format |
| PDBx/mmJSON format | 2hit.json.gz | Tree view | PDBx/mmJSON format | |
| Others | Other downloads |
-Validation report
| Summary document | 2hit_validation.pdf.gz | 2.9 MB | Display | wwPDB validaton report |
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| Full document | 2hit_full_validation.pdf.gz | 3 MB | Display | |
| Data in XML | 2hit_validation.xml.gz | 48.1 KB | Display | |
| Data in CIF | 2hit_validation.cif.gz | 63.2 KB | Display | |
| Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/hi/2hit ftp://data.pdbj.org/pub/pdb/validation_reports/hi/2hit | HTTPS FTP |
-Related 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 on special symmetry positions |
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Components
-Reaction center protein ... , 3 types, 3 molecules LMH
| #1: Protein | Mass: 31346.389 Da / Num. of mol.: 1 / Source method: isolated from a natural source Details: Strain R-26.1 of Rhodobacter sphaeroides bacteria is a partial revertant of the R-26 chemical mutant of the wild-type strain 2.4.1. While R-26 has no LH2 antenna and no carotenoid, the R-26. ...Details: Strain R-26.1 of Rhodobacter sphaeroides bacteria is a partial revertant of the R-26 chemical mutant of the wild-type strain 2.4.1. While R-26 has no LH2 antenna and no carotenoid, the R-26.1 has altered LH2 antenna and no carotenoid. Reaction center from R-26.1 strain is therefore identical with the wild-type strain 2.4.1 except for the missing carotenoid. Source: (natural) Rhodobacter sphaeroides (bacteria) / Strain: R26.1 / References: UniProt: P0C0Y8 |
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| #2: Protein | Mass: 34398.543 Da / Num. of mol.: 1 / Source method: isolated from a natural source Details: Strain R-26.1 of Rhodobacter sphaeroides bacteria is a partial revertant of the R-26 chemical mutant of the wild-type strain 2.4.1. While R-26 has no LH2 antenna and no carotenoid, the R-26. ...Details: Strain R-26.1 of Rhodobacter sphaeroides bacteria is a partial revertant of the R-26 chemical mutant of the wild-type strain 2.4.1. While R-26 has no LH2 antenna and no carotenoid, the R-26.1 has altered LH2 antenna and no carotenoid. Reaction center from R-26.1 strain is therefore identical with the wild-type strain 2.4.1 except for the missing carotenoid. Source: (natural) Rhodobacter sphaeroides (bacteria) / Strain: R26.1 / References: UniProt: P0C0Y9 |
| #3: Protein | Mass: 28066.322 Da / Num. of mol.: 1 / Source method: isolated from a natural source Details: Strain R-26.1 of Rhodobacter sphaeroides bacteria is a partial revertant of the R-26 chemical mutant of the wild-type strain 2.4.1. While R-26 has no LH2 antenna and no carotenoid, the R-26. ...Details: Strain R-26.1 of Rhodobacter sphaeroides bacteria is a partial revertant of the R-26 chemical mutant of the wild-type strain 2.4.1. While R-26 has no LH2 antenna and no carotenoid, the R-26.1 has altered LH2 antenna and no carotenoid. Reaction center from R-26.1 strain is therefore identical with the wild-type strain 2.4.1 except for the missing carotenoid. Source: (natural) Rhodobacter sphaeroides (bacteria) / Strain: R26.1 / References: UniProt: P0C0Y7 |
-Non-polymers , 13 types, 421 molecules 
























| #4: Chemical | ChemComp-BCL / #5: Chemical | #6: Chemical | #7: Chemical | #8: Chemical | ChemComp-FE / | #9: Chemical | #10: Chemical | #11: Chemical | ChemComp-CDL / | #12: Chemical | ChemComp-PEW / ( | #13: Chemical | ChemComp-LDA / #14: Chemical | ChemComp-K / | #15: Chemical | ChemComp-PEV / ( | #16: 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: 5.48 Å3/Da / Density % sol: 77.57 % |
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| Crystal grow | Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 8 Details: Potassium phosphate, LDAO, 1,2,3-heptanetriol, 1,2,3-hexanetriol, dioxane, NaCl, Tris-HCl, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 16.0K |
-Data collection
| Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: BM14 / Wavelength: 0.91929 Å |
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| Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Mar 18, 2005 / Details: mirrors |
| Radiation | Monochromator: Si(111) channel / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
| Radiation wavelength | Wavelength: 0.91929 Å / Relative weight: 1 |
| Reflection | Resolution: 2.75→46.03 Å / Num. obs: 54102 / % possible obs: 99.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 10.9 % / Biso Wilson estimate: 74.5 Å2 / Rmerge(I) obs: 0.066 / Net I/σ(I): 23 |
| Reflection shell | Resolution: 2.75→2.9 Å / Redundancy: 11.1 % / Rmerge(I) obs: 0.569 / Mean I/σ(I) obs: 4.3 / Num. unique all: 7805 / % possible all: 100 |
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Processing
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| Refinement | Method to determine structure: MOLECULAR REPLACEMENTStarting model: Unpublished structure of reaction centre at 1.95A resolution Resolution: 2.75→46.01 Å / Cor.coef. Fo:Fc: 0.924 / Cor.coef. Fo:Fc free: 0.901 / SU B: 16.317 / SU ML: 0.152 / TLS residual ADP flag: LIKELY RESIDUAL Isotropic thermal model: TLS thermal mode followed by the restrained refinement of atomic coordinates and isotropic B-factors; all details in the pdb-file Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / ESU R: 0.319 / ESU R Free: 0.243 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS; the above average isotropic B value is an average residual B after TLS refinement while the final average atomic B is 70.0
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| Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Displacement parameters | Biso mean: 60.047 Å2
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| Refinement step | Cycle: LAST / Resolution: 2.75→46.01 Å
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| Refine LS restraints |
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| LS refinement shell | Resolution: 2.75→2.821 Å / Total num. of bins used: 20
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| Refinement TLS params. | Method: refined / Origin x: 10.999 Å / Origin y: 102.4614 Å / Origin z: 34.1604 Å
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| Refinement TLS group |
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Rhodobacter sphaeroides (bacteria)
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