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Yorodumi- PDB-2hg9: Reaction centre from Rhodobacter sphaeroides strain R-26.1 comple... -
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Open data
- Basic information
Basic information
| Entry | Database: PDB / ID: 2hg9 | ||||||
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| Title | Reaction centre from Rhodobacter sphaeroides strain R-26.1 complexed with tetrabrominated phosphatidylcholine | ||||||
|  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 information plasma 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: 2.45 Å | ||||||
|  Authors | Roszak, A.W. / Gardiner, A.T. / Isaacs, N.W. / Cogdell, R.J. | ||||||
|  Citation |  Journal: Biochemistry / Year: 2007 Title: 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. | ||||||
| History | 
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- Structure visualization
Structure visualization
| Structure viewer | Molecule:  Molmil  Jmol/JSmol | 
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- Downloads & links
Downloads & links
- Download
Download
| PDBx/mmCIF format |  2hg9.cif.gz | 220.5 KB | Display |  PDBx/mmCIF format | 
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| PDB format |  pdb2hg9.ent.gz | 168.3 KB | Display |  PDB format | 
| PDBx/mmJSON format |  2hg9.json.gz | Tree view |  PDBx/mmJSON format | |
| Others |  Other downloads | 
-Validation report
| Summary document |  2hg9_validation.pdf.gz | 2.7 MB | Display |  wwPDB validaton report | 
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| Full document |  2hg9_full_validation.pdf.gz | 2.8 MB | Display | |
| Data in XML |  2hg9_validation.xml.gz | 47 KB | Display | |
| Data in CIF |  2hg9_validation.cif.gz | 62.8 KB | Display | |
| Arichive directory |  https://data.pdbj.org/pub/pdb/validation_reports/hg/2hg9  ftp://data.pdbj.org/pub/pdb/validation_reports/hg/2hg9 | HTTPS FTP | 
-Related structure data
- Links
Links
- Assembly
Assembly
| Deposited unit |  
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| 1 | 
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| Unit cell | 
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- Components
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, 473 molecules 
























| #4: Chemical | ChemComp-PO4 / #5: Chemical | #6: Chemical | ChemComp-BCL / #7: Chemical | #8: Chemical | #9: Chemical | ChemComp-FE / | #10: Chemical | ChemComp-CDL / | #11: Chemical | ChemComp-PCK / ( | #12: Chemical | ChemComp-LDA / #13: Chemical | ChemComp-GOL / #14: Chemical | ChemComp-K / | #15: Chemical | ChemComp-PC7 / ( | #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
Sample preparation
| Crystal | Density Matthews: 5.52 Å3/Da / Density % sol: 77.75 % | 
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| Crystal grow | Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 8 Details: Potassium phosphate, LDAO, 1,2,3-heptanetriol, dioxane, Tris-HCl, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 16.0K | 
-Data collection
| Diffraction | Mean temperature: 100 K | 
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| Diffraction source | Source:  SYNCHROTRON / Site:  SRS  / Beamline: PX9.6 / Wavelength: 0.87 Å | 
| Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: May 11, 2004 / Details: mirrors | 
| Radiation | Monochromator: Si(111) monochromator / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | 
| Radiation wavelength | Wavelength: 0.87 Å / Relative weight: 1 | 
| Reflection | Resolution: 2.45→39.37 Å / Num. obs: 76588 / % possible obs: 99.7 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 8.6 % / Biso Wilson estimate: 51.5 Å2 / Rmerge(I) obs: 0.068 / Net I/σ(I): 18 | 
| Reflection shell | Resolution: 2.45→2.58 Å / Redundancy: 7.8 % / Rmerge(I) obs: 0.614 / Mean I/σ(I) obs: 3.8 / Num. unique all: 11112 / % possible all: 100 | 
- Processing
Processing
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| Refinement | Method to determine structure:  MOLECULAR REPLACEMENT Starting model: Unpublished structure of reaction centre at 1.95A resolution Resolution: 2.45→39.36 Å / Cor.coef. Fo:Fc: 0.953 / Cor.coef. Fo:Fc free: 0.939 / SU B: 11.135 / SU ML: 0.115 / 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: 0.198 / ESU R Free: 0.174 / 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 55.5 
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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: 44.677 Å2 
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| Refinement step | Cycle: LAST / Resolution: 2.45→39.36 Å 
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| Refine LS restraints | 
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| LS refinement shell | Resolution: 2.45→2.514 Å / Total num. of bins used: 20 
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| Refinement TLS params. | Method: refined / Origin x: 56.0554 Å / Origin y: 60.6887 Å / Origin z: 65.0923 Å 
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| Refinement TLS group | 
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