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- PDB-1pqu: Crystal Structure of the H277N Mutant of Aspartate Semialdehyde D... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1pqu | ||||||
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Title | Crystal Structure of the H277N Mutant of Aspartate Semialdehyde Dehydrogenase from Haemophilus influenzae Bound with NADP, S-methyl cysteine sulfoxide and cacodylate | ||||||
![]() | Aspartate-semialdehyde dehydrogenase | ||||||
![]() | OXIDOREDUCTASE / Enzyme / L-aspartate semialdehyde / cacodylate / NADP | ||||||
Function / homology | ![]() aspartate-semialdehyde dehydrogenase / aspartate-semialdehyde dehydrogenase activity / 'de novo' L-methionine biosynthetic process / threonine biosynthetic process / diaminopimelate biosynthetic process / isoleucine biosynthetic process / lysine biosynthetic process via diaminopimelate / NAD binding / NADP binding / protein dimerization activity Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Blanco, J. / Moore, R.A. / Viola, R.E. | ||||||
![]() | ![]() Title: The role of substrate-binding groups in the mechanism of aspartate-beta-semialdehyde dehydrogenase. Authors: Blanco, J. / Moore, R.A. / Faehnle, C.R. / Coe, D.M. / Viola, R.E. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 307.3 KB | Display | ![]() |
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PDB format | ![]() | 248.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.4 MB | Display | ![]() |
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Full document | ![]() | 1.4 MB | Display | |
Data in XML | ![]() | 63.3 KB | Display | |
Data in CIF | ![]() | 88.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1ozaC ![]() 1pqpC ![]() 1pr3C ![]() 1ps8C ![]() 1pu2C ![]() 1q2xC ![]() 1nwcS S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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2 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 40559.691 Da / Num. of mol.: 4 / Mutation: H277N Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: P44801, aspartate-semialdehyde dehydrogenase #2: Chemical | ChemComp-CAC / #3: Chemical | #4: Chemical | ChemComp-CYS / #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.3 Å3/Da / Density % sol: 46.63 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 24% PEG 3350, 0.2M Ammonium acetate, 100 mM cacodylate, pH 6.5, 2 mM NADP, 2 mM S-methyl cysteine sulfoxide, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 90 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: SBC-3 / Detector: CCD / Date: Jul 18, 2002 |
Radiation | Monochromator: Si220 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.92→50 Å / Num. obs: 99660 / % possible obs: 89 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Redundancy: 7.4 % / Biso Wilson estimate: 9.9 Å2 / Rsym value: 0.08 / Net I/σ(I): 10.7 |
Reflection shell | Resolution: 1.92→1.99 Å / Mean I/σ(I) obs: 2.5 / Num. unique all: 10047 / Rsym value: 0.225 / % possible all: 90.7 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1NWC Resolution: 1.92→44.65 Å / Rfactor Rfree error: 0.002 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 2 / Stereochemistry target values: Engh & Huber
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 59.5703 Å2 / ksol: 0.384788 e/Å3 | |||||||||||||||||||||||||
Displacement parameters | Biso mean: 18.4 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.92→44.65 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.92→2.04 Å / Rfactor Rfree error: 0.007 / Total num. of bins used: 6
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Xplor file |
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