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Open data
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Basic information
Entry | Database: PDB / ID: 3wqm | ||||||
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Title | Crystal structure of Rv3378c with inhibitor BPH-629 | ||||||
![]() | Diterpene synthase | ||||||
![]() | HYDROLASE/HYDROLASE INHIBITOR / diterpene synthase / HYDROLASE-HYDROLASE INHIBITOR complex | ||||||
Function / homology | ![]() adenosine tuberculosinyltransferase / (13S)-vitexifolin A synthase activity / tuberculosinol biosynthetic process / diterpenoid biosynthetic process / transferase activity, transferring alkyl or aryl (other than methyl) groups / response to host immune response / phosphatase activity Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Chan, H.C. / Feng, X. / Ko, T.P. / Huang, C.H. / Hu, Y. / Zheng, Y. / Bogue, S. / Nakano, C. / Hoshino, T. / Zhang, L. ...Chan, H.C. / Feng, X. / Ko, T.P. / Huang, C.H. / Hu, Y. / Zheng, Y. / Bogue, S. / Nakano, C. / Hoshino, T. / Zhang, L. / Lv, P. / Liu, W. / Crick, D.C. / Liang, P.H. / Wang, A.H. / Oldfield, E. / Guo, R.T. | ||||||
![]() | ![]() Title: Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis. Authors: Chan, H.C. / Feng, X. / Ko, T.P. / Huang, C.H. / Hu, Y. / Zheng, Y. / Bogue, S. / Nakano, C. / Hoshino, T. / Zhang, L. / Lv, P. / Liu, W. / Crick, D.C. / Liang, P.H. / Wang, A.H. / Oldfield, E. / Guo, R.T. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 83.7 KB | Display | ![]() |
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PDB format | ![]() | 61.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.1 MB | Display | ![]() |
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Full document | ![]() | 1.1 MB | Display | |
Data in XML | ![]() | 18 KB | Display | |
Data in CIF | ![]() | 26.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 3wqkSC ![]() 3wqlC ![]() 3wqnC ![]() 4kt8C ![]() 4oncC 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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1 | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 34412.844 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: O50407, UniProt: P9WJ61*PLUS, EC: 3.1.7.9, EC: 3.1.7.8 | ||||||
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#2: Chemical | #3: Chemical | ChemComp-MG / | #4: Chemical | #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.66 Å3/Da / Density % sol: 53.82 % |
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Feb 25, 2012 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Relative weight: 1 |
Reflection | Resolution: 2.1→25 Å / Num. obs: 21574 / % possible obs: 99.3 % / Redundancy: 10.2 % / Rmerge(I) obs: 0.053 |
Reflection shell | Resolution: 2.1→2.2 Å / Redundancy: 10.2 % / Rmerge(I) obs: 0.397 / Mean I/σ(I) obs: 6.4 / % possible all: 97.6 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 3WQK Resolution: 2.1→25 Å / σ(F): 2
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Refinement step | Cycle: LAST / Resolution: 2.1→25 Å
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LS refinement shell | Resolution: 2.1→2.2 Å / Num. reflection obs: 1961 |