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- PDB-6kgu: Crystal structure of Penicillin binding protein 3 (PBP3) from Myc... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6kgu | ||||||||||||
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Title | Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with aztreonam | ||||||||||||
![]() | Penicillin-binding protein PbpB | ||||||||||||
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Function / homology | ![]() ![]() ![]() Similarity search - Function | ||||||||||||
Biological species | ![]() ![]() ![]() | ||||||||||||
Method | ![]() ![]() ![]() | ||||||||||||
![]() | Lu, Z.K. / Zhang, A.L. / Liu, X. / Guddat, L. / Yang, H.T. / Rao, Z.H. | ||||||||||||
Funding support | ![]()
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![]() | ![]() Title: Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation. Authors: Lu, Z. / Wang, H. / Zhang, A. / Liu, X. / Zhou, W. / Yang, C. / Guddat, L. / Yang, H. / Schofield, C.J. / Rao, Z. | ||||||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 105.1 KB | Display | ![]() |
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PDB format | ![]() | 80.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related 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
#1: Protein | Mass: 59801.012 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Strain: ATCC 25618 / H37Rv / Gene: pbpB, ftsI, pbp3, Rv2163c / Plasmid: pGEX-6p-1 / Production host: ![]() ![]() ![]() | ||||
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#2: Chemical | ChemComp-AZR / ![]() | ||||
#3: Chemical | #4: Water | ChemComp-HOH / | ![]() Has ligand of interest | Y | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.87 Å3/Da / Density % sol: 57.13 % |
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Crystal grow![]() | Temperature: 293 K / Method: evaporation / pH: 7.4 / Details: PEG 3350, CoCl2, MgCl2, HEPES |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Sep 13, 2015 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.1→44.94 Å / Num. obs: 38528 / % possible obs: 98 % / Redundancy: 7 % / Net I/σ(I): 12.43 |
Reflection shell | Resolution: 2.1→2.18 Å / Num. unique obs: 3748 |
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Processing
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Refinement | Method to determine structure![]() ![]()
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 98.31 Å2 / Biso mean: 37.5 Å2 / Biso min: 19.94 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 2.106→44.937 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0
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