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- PDB-5cwa: Structure of Anthranilate Synthase Component I (TrpE) from Mycoba... -
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Open data
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Basic information
Entry | Database: PDB / ID: 5cwa | |||||||||
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Title | Structure of Anthranilate Synthase Component I (TrpE) from Mycobacterium tuberculosis with inhibitor bound | |||||||||
![]() | Anthranilate synthase component 1![]() | |||||||||
![]() | Lyase/Lyase Inhibitor / ![]() | |||||||||
Function / homology | ![]() ![]() ![]() ![]() Similarity search - Function | |||||||||
Biological species | ![]() ![]() ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Johnston, J.M. / Bashiri, G. / Evans, G.L. / Lott, J.S. / Baker, E.N. | |||||||||
![]() | ![]() Title: Structure and inhibition of subunit I of the anthranilate synthase complex of Mycobacterium tuberculosis and expression of the active complex. Authors: Bashiri, G. / Johnston, J.M. / Evans, G.L. / Bulloch, E.M. / Goldstone, D.C. / Jirgis, E.N. / Kleinboelting, S. / Castell, A. / Ramsay, R.J. / Manos-Turvey, A. / Payne, R.J. / Lott, J.S. / Baker, E.N. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 118.7 KB | Display | ![]() |
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PDB format | ![]() | 89.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 1qdlS S: Starting model for refinement |
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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 | Biological assembly of TrpE is a dimer. In the structure this dimer is generated by application of crystal symmetry. This is supported by PISA analysis. Also further supported by experimental work - SEC and SEC-MALS analysis. |
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Components
-Protein , 1 types, 1 molecules A
#1: Protein | ![]() Mass: 55496.258 Da / Num. of mol.: 1 / Mutation: H2D Source method: isolated from a genetically manipulated source Details: D TO H MUTATION FROM PUBLISHED SEQUENCE AT POSITION 2 DUE TO CLONING ARTEFACT, ALSO AFTER RTEV CLEAVAGE AN ADDITIONAL GA REMAINS ON CONSTRUCT USED PRIOR TO START M (NOT SHOWN IN SEQUENCE ABOVE) Source: (gene. exp.) ![]() ![]() Strain: CDC 1551 / Oshkosh / Gene: trpE, MT1644 / Production host: ![]() ![]() ![]() |
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-Non-polymers , 5 types, 211 molecules ![](data/chem/img/SO4.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/0GA.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/0GA.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ![]() #3: Chemical | ![]() #4: Chemical | ChemComp-0GA / | #5: Chemical | ChemComp-UNL / | Num. of mol.: 1 / Source method: obtained synthetically #6: Water | ChemComp-HOH / | ![]() |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 4.09 Å3/Da / Density % sol: 69.95 % |
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Crystal grow![]() | Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 7 Details: 0.6-1.0 M AMMONIUM SULFATE, 0.1 M BIS -TRIS PROPANE, PH 7, "silver bullet" additive G6, VAPOR DIFFUSION, TEMPERATURE 291K PH range: 7 |
-Data collection
Diffraction | Mean temperature: 110 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Mar 31, 2012 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.1→135.452 Å / Num. obs: 54312 / % possible obs: 99.9 % / Redundancy: 21.9 % / Rsym value: 0.158 / Net I/σ(I): 14.8 |
Reflection shell | Resolution: 2.1→2.21 Å / Redundancy: 22.4 % / Rmerge(I) obs: 3.794 / Mean I/σ(I) obs: 1.1 / Rsym value: 3.794 / % possible all: 99.8 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 1QDL Resolution: 2.1→135.45 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.942 / SU B: 5.884 / SU ML: 0.143 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.152 / ESU R Free: 0.153 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 56.53 Å2
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Refinement step | Cycle: LAST / Resolution: 2.1→135.45 Å
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Refine LS restraints |
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