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- PDB-1g9x: CHARACTERIZATION OF THE TWINNING STRUCTURE OF MJ1267, AN ATP-BIND... -
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Basic information
Entry | Database: PDB / ID: 1g9x | ||||||
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Title | CHARACTERIZATION OF THE TWINNING STRUCTURE OF MJ1267, AN ATP-BINDING CASSETTE OF AN ABC TRANSPORTER | ||||||
![]() | HIGH-AFFINITY BRANCHED-CHAIN AMINO ACID TRANSPORT ATP-BINDING PROTEIN | ||||||
![]() | STRUCTURAL GENOMICS / Hemihedral twinning structure / ATP-binding cassette / ABC transporter | ||||||
Function / homology | ![]() amino acid transport / ATP hydrolysis activity / ATP binding / plasma membrane Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Yuan, Y.-R. / Hunt, J.F. | ||||||
![]() | ![]() Title: Structural characterization of an MJ1267 ATP-binding cassette crystal with a complex pattern of twinning caused by promiscuous fiber packing. Authors: Yuan, Y.R. / Martsinkevich, O. / Hunt, J.F. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 165.3 KB | Display | ![]() |
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PDB format | ![]() | 129.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | |
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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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3 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 29018.715 Da / Num. of mol.: 3 / Fragment: MJ1267 / Mutation: N31C, N1031C, N2031C Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Gene: STRUCTURAL DNA / Plasmid: PET28A / Species (production host): Escherichia coli / Production host: ![]() ![]() #2: Chemical | #3: Chemical | #4: Chemical | #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.92 Å3/Da / Density % sol: 36.09 % | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8 Details: Tris/HCl, PEG 2000MME, Glycerol, Mg-ADP, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 310 K / pH: 8.8 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Date: Jun 28, 1998 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.6→14.66 Å / Num. all: 18818 / Num. obs: 18662 / % possible obs: 93.8 % / Observed criterion σ(F): 1 / Observed criterion σ(I): 1 / Redundancy: 1.58 % / Biso Wilson estimate: 13.6 Å2 / Rmerge(I) obs: 0.058 / Net I/σ(I): 8.4 |
Reflection shell | Resolution: 2.6→2.76 Å / Redundancy: 1.3 % / Rmerge(I) obs: 0.068 / % possible all: 92 |
Reflection | *PLUS Highest resolution: 2.6 Å / Lowest resolution: 20 Å / % possible obs: 92.6 % / Redundancy: 1.5 % / Rmerge(I) obs: 0.069 |
Reflection shell | *PLUS Highest resolution: 2.6 Å / % possible obs: 90.7 % / Redundancy: 1.43 % / Rmerge(I) obs: 0.191 / Mean I/σ(I) obs: 7.08 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: coordination of C2 MJ1267 Resolution: 2.6→14.66 Å / Rfactor Rfree error: 0.007 / Data cutoff high absF: 1077889.47 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 1 / σ(I): 1 / Stereochemistry target values: Engh & Huber
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 49.26 Å2 / ksol: 0.315 e/Å3 | ||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 19.2 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.6→14.66 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.6→2.76 Å / Rfactor Rfree error: 0.018 / Total num. of bins used: 6
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Refinement | *PLUS Lowest resolution: 20 Å / Rfactor Rfree: 0.288 / Rfactor Rwork: 0.198 | ||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Rfactor Rfree: 0.357 / Rfactor Rwork: 0.351 |