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- PDB-1pqp: Crystal Structure of the C136S Mutant of Aspartate Semialdehyde D... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1pqp | |||||||||
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Title | Crystal Structure of the C136S Mutant of Aspartate Semialdehyde Dehydrogenase from Haemophilus influenzae Bound with Aspartate Semialdehyde and Phosphate | |||||||||
![]() | Aspartate-semialdehyde dehydrogenase![]() | |||||||||
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Function / homology | ![]() ![]() ![]() ![]() ![]() Similarity search - Function | |||||||||
Biological species | ![]() ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Blanco, J. / Moore, R.A. / Faehnle, C.R. / 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 | ![]() | 87 KB | Display | ![]() |
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PDB format | ![]() | 64.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 1ozaC ![]() 1pquC ![]() 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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1 | ![]()
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Unit cell |
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Details | The biological assembly is a dimer. |
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Components
#1: Protein | ![]() Mass: 40567.672 Da / Num. of mol.: 1 / Mutation: C136S Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() References: UniProt: P44801, ![]() |
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#2: Chemical | ChemComp-PO4 / ![]() |
#3: Chemical | ChemComp-HSE / ![]() |
#4: Water | ChemComp-HOH / ![]() |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.24 Å3/Da / Density % sol: 44.97 % |
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Crystal grow![]() | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 8.5 Details: 24% PEG 3350, 0.2M Ammonium acetate, 100 mM Tris, pH 8.5, 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![]() |
Reflection | Resolution: 1.91→50 Å / Num. all: 27514 / Num. obs: 27474 / % possible obs: 99.8 % / Observed criterion σ(I): 2 / Redundancy: 10.4 % / Biso Wilson estimate: 10.9 Å2 / Rsym value: 0.049 / Net I/σ(I): 29.7 |
Reflection shell | Resolution: 1.91→1.98 Å / Mean I/σ(I) obs: 13.4 / Num. unique all: 2447 / Rsym value: 0.118 / % possible all: 85.8 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 1NWC Resolution: 2.06→37.64 Å / Rfactor Rfree error: 0.006 / 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: 67.9707 Å2 / ksol: 0.371209 e/Å3 | |||||||||||||||||||||||||
Displacement parameters | Biso mean: 22.9 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.06→37.64 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.06→2.19 Å / Rfactor Rfree error: 0.015 / Total num. of bins used: 6
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Xplor file |
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