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- PDB-2vfc: The structure of Mycobacterium marinum arylamine N-acetyltransfer... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2vfc | ||||||
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Title | The structure of Mycobacterium marinum arylamine N-acetyltransferase in complex with CoA | ||||||
![]() | ARYLAMINE N-ACETYLTRANSFERASE | ||||||
![]() | TRANSFERASE | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Fullam, E. / Westwood, I.M. / Anderton, M.C. / Lowe, E.D. / Sim, E. / Noble, M.E.M. | ||||||
![]() | ![]() Title: Divergence of Cofactor Recognition Across Evolution: Coenzyme a Binding in a Prokaryotic Arylamine N-Acetyltransferase. Authors: Fullam, E. / Westwood, I.M. / Anderton, M.C. / Lowe, E.D. / Sim, E. / Noble, M.E.M. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 118.3 KB | Display | ![]() |
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PDB format | ![]() | 91.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 901.9 KB | Display | ![]() |
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Full document | ![]() | 915.9 KB | Display | |
Data in XML | ![]() | 25.2 KB | Display | |
Data in CIF | ![]() | 35 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2vfbSC 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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2 | ![]()
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (0.08485, 0.97981, 0.18104), Vector: |
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Components
#1: Protein | Mass: 30668.752 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: B2HIZ6*PLUS, arylamine N-acetyltransferase #2: Chemical | #3: Water | ChemComp-HOH / | Sequence details | C-TERMINAL HIS TAG ADDED | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.86 Å3/Da / Density % sol: 33.9 % / Description: NONE |
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Crystal grow | pH: 5.6 Details: 0.1M NA CITRATE PH5.6, 10% W/V 2-PROPANOL AND 22% PEG 4,000 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC CCD / Detector: CCD / Details: TOROIDAL MIRROR |
Radiation | Monochromator: SI(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.98 Å / Relative weight: 1 |
Reflection | Resolution: 2.6→24.88 Å / Num. obs: 16557 / % possible obs: 97.3 % / Observed criterion σ(I): 0 / Redundancy: 5.27 % / Rmerge(I) obs: 0.16 / Net I/σ(I): 4.27 |
Reflection shell | Resolution: 2.7→2.85 Å / Redundancy: 3.39 % / Rmerge(I) obs: 0.4 / Mean I/σ(I) obs: 1.8 / % possible all: 88.1 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 2VFB Resolution: 2.7→30.23 Å / Cor.coef. Fo:Fc: 0.933 / Cor.coef. Fo:Fc free: 0.888 / SU B: 24.74 / SU ML: 0.268 / TLS residual ADP flag: UNVERIFIED / Cross valid method: FREE R-VALUE / σ(F): 0 / ESU R Free: 0.378 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
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Solvent computation | Ion probe radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK BULK SOLVENT | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 5.75 Å2
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Refinement step | Cycle: LAST / Resolution: 2.7→30.23 Å
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Refine LS restraints |
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