[English] 日本語
![](img/lk-miru.gif)
- PDB-4uaa: CTX-M-14 Class A Beta-Lactamase in Complex with a Non-Covalent In... -
+
Open data
-
Basic information
Entry | Database: PDB / ID: 4uaa | |||||||||
---|---|---|---|---|---|---|---|---|---|---|
Title | CTX-M-14 Class A Beta-Lactamase in Complex with a Non-Covalent Inhibitor at Sub-Angstrom Resolution | |||||||||
![]() | Beta-lactamase CTX-M-14 | |||||||||
![]() | HYDROLASE/HYDROLASE Inhibitor / CTX-M-14 / Class A Beta-Lactamase / ![]() | |||||||||
Function / homology | ![]() beta-lactam antibiotic catabolic process / ![]() ![]() Similarity search - Function | |||||||||
Biological species | ![]() ![]() ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Nichols, D.A. / Chen, Y. | |||||||||
Funding support | ![]()
| |||||||||
![]() | ![]() Title: Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography. Authors: Nichols, D.A. / Hargis, J.C. / Sanishvili, R. / Jaishankar, P. / Defrees, K. / Smith, E.W. / Wang, K.K. / Prati, F. / Renslo, A.R. / Woodcock, H.L. / Chen, Y. | |||||||||
History |
|
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 358 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 298.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
---|
-Related structure data
Related structure data | ![]() 4ua6C ![]() 4ua7C ![]() 4ua9C ![]() 2p74S C: citing same article ( S: Starting model for refinement |
---|---|
Similar structure data |
-
Links
-
Assembly
Deposited unit | ![]()
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 | ![]()
| ||||||||
2 | ![]()
| ||||||||
Unit cell |
|
-
Components
#1: Protein | Mass: 27983.516 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() #2: Chemical | ChemComp-3GK / #3: Chemical | ChemComp-PO4 / ![]() #4: Water | ChemComp-HOH / | ![]() |
---|
-Experimental details
-Experiment
Experiment | Method: ![]() |
---|
-
Sample preparation
Crystal | Density Matthews: 2 Å3/Da / Density % sol: 38.5 % |
---|---|
Crystal grow![]() | Temperature: 293 K / Method: vapor diffusion, hanging drop / Details: 1.0M Potassium Phosphate / PH range: 8.3 |
-Data collection
Diffraction | Mean temperature: 100 K |
---|---|
Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Sep 13, 2013 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 0.86→50 Å / Num. obs: 361807 / % possible obs: 97.4 % / Redundancy: 4.1 % / Rmerge(I) obs: 0.059 / Net I/σ(I): 18.9 |
-
Processing
Software |
| |||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure![]() ![]() Starting model: 2P74 Resolution: 0.86→10 Å / Num. parameters: 48842 / Num. restraintsaints: 65813 / Cross valid method: FREE R-VALUE / σ(F): 0 / Stereochemistry target values: ENGH AND HUBER / Details: ANISOTROPIC REFINEMENT REDUCED FREE R (NO CUTOFF)
| |||||||||||||||||||||||||||||||||
Refine analyze | Num. disordered residues: 166 / Occupancy sum hydrogen: 3826 / Occupancy sum non hydrogen: 4758.6 | |||||||||||||||||||||||||||||||||
Refinement step | Cycle: 1 / Resolution: 0.86→10 Å
| |||||||||||||||||||||||||||||||||
Refine LS restraints |
|