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Yorodumi- PDB-7zqz: F61V Cytochrome c prime beta from Methylococcus capsulatus (Bath)... -
+Open data
-Basic information
Entry | Database: PDB / ID: 7zqz | ||||||
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Title | F61V Cytochrome c prime beta from Methylococcus capsulatus (Bath): NO complex | ||||||
Components | Cytochrome c | ||||||
Keywords | OXIDOREDUCTASE / NO bound / Cytochrome c prime / Beta-sheet | ||||||
Function / homology | Cytochrome P460 / Cytochrome P460 superfamily / Cytochrome P460 / metal ion binding / HEME C / NITRIC OXIDE / DI(HYDROXYETHYL)ETHER / Cytochrome c Function and homology information | ||||||
Biological species | Methylococcus capsulatus str. Bath (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.68 Å | ||||||
Authors | Adams, H.R. / Hough, M.A. | ||||||
Funding support | 1items
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Citation | Journal: J.Biol.Chem. / Year: 2023 Title: A heme pocket aromatic quadrupole modulates gas binding to cytochrome c'-beta : Implications for NO sensors. Authors: Adams, H.R. / Svistunenko, D.A. / Wilson, M.T. / Fujii, S. / Strange, R.W. / Hardy, Z.A. / Vazquez, P.A. / Dabritz, T. / Streblow, G.J. / Andrew, C.R. / Hough, M.A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7zqz.cif.gz | 77.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7zqz.ent.gz | 55.8 KB | Display | PDB format |
PDBx/mmJSON format | 7zqz.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 7zqz_validation.pdf.gz | 1.8 MB | Display | wwPDB validaton report |
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Full document | 7zqz_full_validation.pdf.gz | 1.8 MB | Display | |
Data in XML | 7zqz_validation.xml.gz | 15.4 KB | Display | |
Data in CIF | 7zqz_validation.cif.gz | 21.3 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/zq/7zqz ftp://data.pdbj.org/pub/pdb/validation_reports/zq/7zqz | HTTPS FTP |
-Related structure data
Related structure data | 7zpsC 7zrwC 7zrxC 7zs4C 7zsvC 7zswC 7zsxC 7ztiC 7zvzC 6hihS 7zpx S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Components on special symmetry positions |
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-Components
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 17322.607 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Methylococcus capsulatus str. Bath (bacteria) Gene: ccp, MCA2394 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: G1UBD5 |
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-Non-polymers , 6 types, 186 molecules
#2: Chemical | ChemComp-ZN / | ||||||||
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#3: Chemical | #4: Chemical | #5: Chemical | #6: Chemical | #7: Water | ChemComp-HOH / | |
-Details
Has ligand of interest | Y |
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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: 2.8 Å3/Da / Density % sol: 56.4 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, hanging drop Details: 2 microlitres of 15 mg/ml protein in 0.1 M HEPES buffer, pH 7.5, mixed with with an equivalent volume of reservoir solution containing 0.01 M ZnSO4, 35% PEG 550 (v/v) and 0.1 M MES, pH 6.5. ...Details: 2 microlitres of 15 mg/ml protein in 0.1 M HEPES buffer, pH 7.5, mixed with with an equivalent volume of reservoir solution containing 0.01 M ZnSO4, 35% PEG 550 (v/v) and 0.1 M MES, pH 6.5. Cryoprotection in ML plus 10% glycerol |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N | ||||||||||||||||||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: Diamond / Beamline: I04 / Wavelength: 0.9795 Å | ||||||||||||||||||||||||||||||
Detector | Type: DECTRIS EIGER2 XE 16M / Detector: PIXEL / Date: Sep 20, 2019 | ||||||||||||||||||||||||||||||
Radiation | Monochromator: M / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 0.9795 Å / Relative weight: 1 | ||||||||||||||||||||||||||||||
Reflection | Resolution: 1.68→33.59 Å / Num. obs: 45336 / % possible obs: 99.3 % / Redundancy: 3 % / CC1/2: 0.999 / Rmerge(I) obs: 0.042 / Rpim(I) all: 0.028 / Rrim(I) all: 0.05 / Net I/σ(I): 11.7 / Num. measured all: 137210 / Scaling rejects: 137 | ||||||||||||||||||||||||||||||
Reflection shell | Diffraction-ID: 1
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-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 6HIH Resolution: 1.68→33.59 Å / Cor.coef. Fo:Fc: 0.971 / Cor.coef. Fo:Fc free: 0.965 / SU B: 2.131 / SU ML: 0.067 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.083 / ESU R Free: 0.083 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY
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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: 88.34 Å2 / Biso mean: 31.457 Å2 / Biso min: 20.91 Å2
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Refinement step | Cycle: final / Resolution: 1.68→33.59 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.68→1.724 Å / Rfactor Rfree error: 0 / Total num. of bins used: 20
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