[English] 日本語
![](img/lk-miru.gif)
- PDB-2pq9: E. coli EPSPS liganded with (R)-difluoromethyl tetrahedral reacti... -
+
Open data
-
Basic information
Entry | Database: PDB / ID: 2pq9 | ||||||
---|---|---|---|---|---|---|---|
Title | E. coli EPSPS liganded with (R)-difluoromethyl tetrahedral reaction intermediate analog | ||||||
![]() | 3-phosphoshikimate 1-carboxyvinyltransferase | ||||||
![]() | TRANSFERASE / inside-out alpha/beta barrel | ||||||
Function / homology | ![]() 3-phosphoshikimate 1-carboxyvinyltransferase / 3-phosphoshikimate 1-carboxyvinyltransferase activity / shikimate kinase activity / shikimate 3-dehydrogenase (NADP+) activity / 3-dehydroquinate dehydratase activity / chorismate biosynthetic process / aromatic amino acid family biosynthetic process / amino acid biosynthetic process / cytosol Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Healy-Fried, M.L. / Funke, T. / Han, H. / Schonbrunn, E. | ||||||
![]() | ![]() Title: Differential inhibition of class I and class II 5-enolpyruvylshikimate-3-phosphate synthases by tetrahedral reaction intermediate analogues. Authors: Funke, T. / Healy-Fried, M.L. / Han, H. / Alberg, D.G. / Bartlett, P.A. / Schonbrunn, E. | ||||||
History |
|
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 106.2 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 79.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 887.7 KB | Display | ![]() |
---|---|---|---|---|
Full document | ![]() | 889.2 KB | Display | |
Data in XML | ![]() | 21.5 KB | Display | |
Data in CIF | ![]() | 33.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2pqbC ![]() 2pqcC ![]() 2pqdC ![]() 1g6sS S: Starting model for refinement C: citing same article ( |
---|---|
Similar structure data |
-
Links
-
Assembly
Deposited unit | ![]()
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
Unit cell |
|
-
Components
#1: Protein | Mass: 46141.613 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: P0A6D3, 3-phosphoshikimate 1-carboxyvinyltransferase | ||
---|---|---|---|
#2: Chemical | ChemComp-GG9 / ( | ||
#3: Chemical | ChemComp-FMT / #4: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
---|
-
Sample preparation
Crystal | Density Matthews: 2.35 Å3/Da / Density % sol: 47.64 % |
---|---|
Crystal grow | Temperature: 290 K / Method: vapor diffusion, hanging drop / pH: 7 Details: Na-formate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
-Data collection
Diffraction | Mean temperature: 100 K |
---|---|
Diffraction source | Source: ![]() |
Detector | Type: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Date: Sep 1, 2006 / Details: mirrors |
Radiation | Monochromator: mirrors / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.6→15 Å / Num. all: 55458 / Num. obs: 55458 / % possible obs: 95.4 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Redundancy: 6.8 % / Rmerge(I) obs: 0.035 / Net I/σ(I): 24.4 |
Reflection shell | Resolution: 1.6→1.7 Å / Redundancy: 5.8 % / Rmerge(I) obs: 0.088 / Mean I/σ(I) obs: 10.6 / Num. unique all: 8807 / % possible all: 92.5 |
-
Processing
Software |
| |||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: ![]() Starting model: pdb entry 1G6S Resolution: 1.6→15 Å / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): -3 / Stereochemistry target values: Engh & Huber
| |||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.6→15 Å
| |||||||||||||||||||||||||
Refine LS restraints |
|