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- PDB-1nwc: Crystal Structure of Aspartate-Semialdehyde Dehydrogenase from Ha... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1nwc | ||||||
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Title | Crystal Structure of Aspartate-Semialdehyde Dehydrogenase from Haemophilus influenzae | ||||||
![]() | Aspartate-semialdehyde dehydrogenase | ||||||
![]() | OXIDOREDUCTASE / enzyme / aspartate-semialdehyde dehydrogenase / Haemophilus influenzae | ||||||
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: Capture of an Intermediate in the Catalytic Cycle of L-Aspartate-beta-Semialdehyde Dehydrogenase Authors: Blanco, J. / Moore, R.A. / 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 | ![]() | 151.3 KB | Display | ![]() |
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PDB format | ![]() | 120.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 1nwhC ![]() 1nx6C ![]() 1brmS 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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Unit cell |
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Details | The biological assembly is a homodimer |
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Components
#1: Protein | Mass: 40583.734 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: P44801, aspartate-semialdehyde dehydrogenase #2: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.03 Å3/Da / Density % sol: 39.06 % | ||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 273 K / Method: vapor diffusion, hanging drop / pH: 8.5 Details: 20-24% PEG 3350, 0.2 M Ammonium Acetate, 0.1 M Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 273K | ||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 20 ℃ / pH: 7 / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 298 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Sep 1, 2001 |
Radiation | Monochromator: GRAPHITE / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.04→99 Å / Num. all: 43500 / Num. obs: 42970 / % possible obs: 98.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 2 / Redundancy: 14.2 % / Biso Wilson estimate: 10.8 Å2 / Net I/σ(I): 29.18 |
Reflection shell | Resolution: 2.04→2.11 Å / Rmerge(I) obs: 0.192 / Mean I/σ(I) obs: 8.29 / Num. unique all: 4212 / Rsym value: 0.192 / % possible all: 99.4 |
Reflection | *PLUS % possible obs: 99.4 % / Num. measured all: 279972 / Rmerge(I) obs: 0.055 |
Reflection shell | *PLUS % possible obs: 98 % / Mean I/σ(I) obs: 8.3 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1BRM Resolution: 2.04→31.79 Å / Rfactor Rfree error: 0.004 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber / Details: BULK SOLVENT MODEL USED
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 65.0795 Å2 / ksol: 0.377468 e/Å3 | |||||||||||||||||||||||||
Displacement parameters | Biso mean: 19.8 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.04→31.79 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.04→2.17 Å / Rfactor Rfree error: 0.014 / Total num. of bins used: 6
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Xplor file |
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Refinement | *PLUS % reflection Rfree: 5 % | |||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||
Refine LS restraints | *PLUS
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