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Open data
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Basic information
Entry | Database: PDB / ID: 1gx3 | ||||||
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Title | M. smegmatis arylamine N-acetyl transferase | ||||||
![]() | ARYLAMINE N-ACETYLTRANSFERASE![]() | ||||||
![]() | ![]() ![]() ![]() ![]() | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Sandy, J. / Mushtaq, A. / Kawamura, A. / Sinclair, J. / Sim, E. / Noble, M. | ||||||
![]() | ![]() Title: The Structure of Arylamine N-Acetyltransferase from Mycobacterium Smegmatis-an Enzyme which Inactivates the Anti-Tubercular Drug, Isoniazid Authors: Sandy, J. / Mushtaq, A. / Kawamura, A. / Sinclair, J. / Sim, E. / Noble, 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 | ![]() | 443.6 KB | Display | ![]() |
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PDB format | ![]() | 366.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 1e2tS 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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4 | ![]()
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper:
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Components
#1: Protein | ![]() Mass: 31300.188 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Details: (HIS)6 AND 3 RESIDUES INTRODUCED BEFORE AUTHENTIC STARTING METHIONINE AS CLONING ARTEFACTS Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() #2: Water | ChemComp-HOH / | ![]() Sequence details | (HIS)6 TAG AND 3 N-TERMINAL RESIDUES ARE CLONING ARTEFACT | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.02 Å3/Da / Density % sol: 52 % | ||||||||||||||||||||||||||||||
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Crystal grow![]() | pH: 8.5 Details: 0.2 M NH4 ACETATE, 0.1M TRIS-HCL PH 8.5, 30%V/V ISOPROPANOL | ||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 19 ℃ / pH: 8 / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: QUANTUM ADSC / Detector: CCD / Date: Feb 19, 2001 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.7→84 Å / Num. obs: 163227 / % possible obs: 98 % / Redundancy: 3.8 % / Rmerge(I) obs: 0.081 / Net I/σ(I): 3.2 |
Reflection shell | Resolution: 1.7→1.76 Å / Redundancy: 2.5 % / Rmerge(I) obs: 0.588 / Mean I/σ(I) obs: 1.3 / % possible all: 87.4 |
Reflection | *PLUS Lowest resolution: 84 Å / % possible obs: 98.1 % / Num. measured all: 624263 / Rmerge(I) obs: 0.074 |
Reflection shell | *PLUS Highest resolution: 1.7 Å / % possible obs: 87.4 % / Num. unique obs: 14137 / Num. measured obs: 34821 / Rmerge(I) obs: 0.568 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 1E2T Resolution: 1.7→30 Å / SU B: 6.557 / SU ML: 0.113 / Cross valid method: THROUGHOUT / ESU R Free: 0.103 / Details: NONE
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Refinement step | Cycle: LAST / Resolution: 1.7→30 Å
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Refinement | *PLUS Lowest resolution: 30 Å / % reflection Rfree: 5 % / Rfactor all![]() | ||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Highest resolution: 1.7 Å / Lowest resolution: 1.74 Å / Rfactor Rfree: 0.338 / Rfactor Rwork: 0.276 / Num. reflection Rwork: 514 / Total num. of bins used: 20 / Rfactor obs: 0.276 |