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Yorodumi- PDB-1qhq: AURACYANIN, A BLUE COPPER PROTEIN FROM THE GREEN THERMOPHILIC PHO... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1qhq | ||||||
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Title | AURACYANIN, A BLUE COPPER PROTEIN FROM THE GREEN THERMOPHILIC PHOTOSYNTHETIC BACTERIUM CHLOROFLEXUS AURANTIACUS | ||||||
Components | PROTEIN (AURACYANIN) | ||||||
Keywords | ELECTRON TRANSFER / CUPREDOXIN / BLUE COPPER PROTEIN / AZURIN-LIKE / THERMOPHILE | ||||||
Function / homology | Function and homology information photosynthetic electron transport chain / electron transfer activity / oxidoreductase activity / copper ion binding / plasma membrane Similarity search - Function | ||||||
Biological species | Chloroflexus aurantiacus (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MAD / Resolution: 1.55 Å | ||||||
Authors | Bond, C.S. / Blankenship, R.E. / Freeman, H.C. / Guss, J.M. / Maher, M. / Selvaraj, F. / Wilce, M.C.J. / Willingham, K. | ||||||
Citation | Journal: J.Mol.Biol. / Year: 2001 Title: Crystal structure of auracyanin, a "blue" copper protein from the green thermophilic photosynthetic bacterium Chloroflexus aurantiacus. Authors: Bond, C.S. / Blankenship, R.E. / Freeman, H.C. / Guss, J.M. / Maher, M.J. / Selvaraj, F.M. / Wilce, M.C. / Willingham, K.M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1qhq.cif.gz | 45.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1qhq.ent.gz | 31.6 KB | Display | PDB format |
PDBx/mmJSON format | 1qhq.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/qh/1qhq ftp://data.pdbj.org/pub/pdb/validation_reports/qh/1qhq | HTTPS FTP |
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-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 14410.964 Da / Num. of mol.: 1 / Source method: isolated from a natural source Details: GREEN GLIDING THERMOPHILIC PHOTOSYNTHETIC BACTERIUM Source: (natural) Chloroflexus aurantiacus (bacteria) / Cellular location: PERIPHERAL MEMBRANE PROTEIN / References: UniProt: P27197 | ||||
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#2: Chemical | ChemComp-CU / | ||||
#3: Chemical | ChemComp-CL / | ||||
#4: Chemical | #5: Water | ChemComp-HOH / | Nonpolymer details | SO4 S 143 LIES ON A SPECIAL POSITION AND THUS HAS 0.25 OCCUPANCY CL 142 LIES ON A TWO-FOLD AXIS | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 3.1 Å3/Da / Density % sol: 60 % | ||||||||||||||||||||||||||||||||||||
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Crystal grow | pH: 7 / Details: HEPES PH 7.5, 2M LI2SO4, pH 7.0 | ||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 8.6 / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 113 K | |||||||||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 14-BM-D / Wavelength: 0.7817,1.3050,1.3779,1.3799,1.3876,1.5418 | |||||||||||||||||||||
Detector | Type: ADSC QUANTUM 1 / Detector: CCD / Date: Sep 1, 1997 | |||||||||||||||||||||
Radiation | Protocol: MAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||||||||||||||
Radiation wavelength |
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Reflection | Resolution: 1.55→20 Å / Num. obs: 29884 / % possible obs: 93.5 % / Redundancy: 3 % / Biso Wilson estimate: 15 Å2 / Rsym value: 9.3 / Net I/σ(I): 20 | |||||||||||||||||||||
Reflection shell | Resolution: 1.55→1.61 Å / Redundancy: 4 % / Mean I/σ(I) obs: 4 / Rsym value: 22.5 / % possible all: 98.3 | |||||||||||||||||||||
Reflection | *PLUS Num. measured all: 538869 / Rmerge(I) obs: 0.093 | |||||||||||||||||||||
Reflection shell | *PLUS % possible obs: 98.3 % / Rmerge(I) obs: 0.225 |
-Processing
Software |
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Refinement | Method to determine structure: MAD / Resolution: 1.55→8 Å / Cross valid method: THROUGHOUT / σ(F): 0
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Displacement parameters | Biso mean: 20.5 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.55→8 Å
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Refine LS restraints |
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Software | *PLUS Name: REFMAC / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS σ(F): 0 / % reflection Rfree: 3 % / Rfactor obs: 0.198 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS Biso mean: 20.5 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | *PLUS Rfactor Rfree: 0.285 / Rfactor obs: 0.267 |