[English] 日本語
Yorodumi- PDB-1jqx: The R57A mutant of Lactococcus lactis dihydroorotate dehydrogenase A -
+Open data
-Basic information
Entry | Database: PDB / ID: 1jqx | ||||||
---|---|---|---|---|---|---|---|
Title | The R57A mutant of Lactococcus lactis dihydroorotate dehydrogenase A | ||||||
Components | dihydroorotate dehydrogenase A | ||||||
Keywords | OXIDOREDUCTASE / Homodimer / alpha-beta barrel / flavoprotein / orotate complex / mutant enzyme | ||||||
Function / homology | Function and homology information dihydroorotate dehydrogenase (fumarate) / dihydroorotate dehydrogenase (fumarate) activity / 'de novo' UMP biosynthetic process / 'de novo' pyrimidine nucleobase biosynthetic process / cytoplasm Similarity search - Function | ||||||
Biological species | Lactococcus lactis (lactic acid bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.7 Å | ||||||
Authors | Norager, S. / Arent, S. / Bjornberg, O. / Ottosen, M. / Lo Leggio, L. / Jensen, K.F. / Larsen, S. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2003 Title: Lactococcus lactis dihydroorotate dehydrogenase A mutants reveal important facets of the enzymatic function Authors: Norager, S. / Arent, S. / Bjornberg, O. / Ottosen, M. / Lo Leggio, L. / Jensen, K.F. / Larsen, S. #1: Journal: Biochemistry / Year: 1997 Title: Active site of dihydroorotate dehydrogenase A from Lactococcus lactis investigated by chemical modification and mutagenesis Authors: Bjornberg, O. / Rowland, P. / Larsen, S. / Jensen, K.F. #2: Journal: Protein Sci. / Year: 1998 Title: The crystal structure of Lactococcus lactis dihydroorotate dehydrogenase A complexed with the enzyme reaction product throws light on its enzymatic function Authors: Rowland, P. / Bjornberg, O. / Nielsen, F.S. / Jensen, K.F. / Larsen, S. #3: Journal: Structure / Year: 1997 Title: The crystal structure of the flavin containing enzyme dihydroorotate dehydrogenase A from Lactococcus lactis Authors: Rowland, P. / Nielsen, F.S. / Jensen, K.F. / Larsen, S. #4: Journal: Protein Sci. / Year: 1996 Title: Purification and characterisation of dihydroorotate dehydrogenase A from Lactococcus lactis, crystallisation and preliminary X-ray diffraction studies of the enzyme Authors: Nielsen, F.S. / Rowland, P. / Larsen, S. / Jensen, K.F. | ||||||
History |
|
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Downloads & links
-Download
PDBx/mmCIF format | 1jqx.cif.gz | 154.6 KB | Display | PDBx/mmCIF format |
---|---|---|---|---|
PDB format | pdb1jqx.ent.gz | 118.5 KB | Display | PDB format |
PDBx/mmJSON format | 1jqx.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/jq/1jqx ftp://data.pdbj.org/pub/pdb/validation_reports/jq/1jqx | HTTPS FTP |
---|
-Related structure data
Related structure data | 1jqvC 1jrbC 1jrcC 1jubC 1jueC 1ovdC 2dorS S: Starting model for refinement C: citing same article (ref.) |
---|---|
Similar structure data |
-Links
-Assembly
Deposited unit |
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
Unit cell |
| ||||||||
Details | The assymetric unit contains the biological homodimer. |
-Components
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 34156.055 Da / Num. of mol.: 2 / Mutation: R57A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Lactococcus lactis (lactic acid bacteria) Plasmid: pUHE23 / Production host: Escherichia coli (E. coli) / Strain (production host): SO6645 References: UniProt: P54321, UniProt: A2RJT9*PLUS, EC: 1.3.3.1 |
---|
-Non-polymers , 5 types, 731 molecules
#2: Chemical | #3: Chemical | #4: Chemical | #5: Chemical | #6: Water | ChemComp-HOH / | |
---|
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
---|
-Sample preparation
Crystal | Density Matthews: 2.72 Å3/Da / Density % sol: 54.71 % |
---|---|
Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop Details: PEG 6K, Na-acetate, TRIS-HCl, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 120 K |
---|---|
Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID14-2 / Wavelength: 0.933 Å |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Mar 26, 2001 |
Radiation | Monochromator: DIAMOND / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.933 Å / Relative weight: 1 |
Reflection | Resolution: 1.7→25 Å / Num. all: 679947 / Num. obs: 80319 / % possible obs: 99.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 4 % / Biso Wilson estimate: 17.4 Å2 / Rmerge(I) obs: 0.047 / Net I/σ(I): 24 |
Reflection shell | Resolution: 1.7→1.73 Å / Rmerge(I) obs: 0.151 / Mean I/σ(I) obs: 6.8 / Num. unique all: 3949 / % possible all: 97.4 |
-Processing
Software |
| |||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: Lactococcus lactis DHODA PDB ID 2DOR Resolution: 1.7→25 Å / Rfactor Rfree error: 0.002 / Isotropic thermal model: isotropic / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber
| |||||||||||||||||||||||||
Solvent computation | Solvent model: FLAT MODEL / Bsol: 54.8305 Å2 / ksol: 0.368323 e/Å3 | |||||||||||||||||||||||||
Displacement parameters | Biso mean: 19 Å2 | |||||||||||||||||||||||||
Refine analyze |
| |||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.7→25 Å
| |||||||||||||||||||||||||
Refine LS restraints |
| |||||||||||||||||||||||||
LS refinement shell | Resolution: 1.7→1.81 Å / Rfactor Rfree error: 0.006
|