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- PDB-4ny7: Bond length analysis of the PqqC Y175F mutant structure shows evi... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4ny7 | ||||||
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Title | Bond length analysis of the PqqC Y175F mutant structure shows evidence for bound PQQ in the reduced form | ||||||
![]() | Pyrroloquinoline-quinone synthase | ||||||
![]() | OXIDOREDUCTASE / all helical | ||||||
Function / homology | ![]() pyrroloquinoline-quinone synthase / pyrroloquinoline-quinone synthase activity / pyrroloquinoline quinone biosynthetic process / : / sulfur compound metabolic process Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Fisher, S.J. / Puehringer, S. | ||||||
![]() | ![]() Title: Bond length analysis of the PqqC Y175F mutant structure shows evidence for bound PQQ in the reduced form Authors: Fisher, S.J. / Puehringer, S. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 264.1 KB | Display | ![]() |
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PDB format | ![]() | 210.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1 MB | Display | ![]() |
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Full document | ![]() | 1.1 MB | Display | |
Data in XML | ![]() | 33.3 KB | Display | |
Data in CIF | ![]() | 48.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 3hlxS S: Starting model for refinement |
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Similar 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
#1: Protein | Mass: 29986.918 Da / Num. of mol.: 2 / Mutation: Y175F Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Strain: ATCC 700721 / MGH 78578 / Gene: pqqC, KPN78578_17810, KPN_01811 / Production host: ![]() ![]() References: UniProt: A6T9H1, pyrroloquinoline-quinone synthase #2: Chemical | #3: Chemical | ChemComp-GOL / #4: Chemical | #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.32 Å3/Da / Density % sol: 46.95 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 7.8 Details: 0.2M ammonium sulfate, 0.1M Bis-Tris pH 6.5, 25% w/v poly- ethylene glycol 3,350, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 210 / Detector: CCD |
Radiation | Monochromator: Diamond (111), Ge(220) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.934 Å / Relative weight: 1 |
Reflection | Resolution: 1.43→37.72 Å / Num. all: 102022 / Num. obs: 100186 / % possible obs: 98.2 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Redundancy: 6.9 % / Rmerge(I) obs: 0.056 / Net I/σ(I): 21 |
Reflection shell | Resolution: 1.43→1.51 Å / Redundancy: 5.5 % / Rmerge(I) obs: 0.374 / Mean I/σ(I) obs: 4.3 / % possible all: 0.903 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: pdb entry 3HLX Resolution: 1.44→10 Å / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 1.44→10 Å
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Refine LS restraints |
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