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- PDB-1vpw: STRUCTURE OF THE PURR MUTANT, L54M, BOUND TO HYPOXANTHINE AND PUR... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1vpw | ||||||
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Title | STRUCTURE OF THE PURR MUTANT, L54M, BOUND TO HYPOXANTHINE AND PURF OPERATOR DNA | ||||||
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![]() | TRANSCRIPTION/DNA / COMPLEX (DNA-BINDING PROTEIN-DNA) / DNA-BINDING REGULATORY PROTEIN / MINOR GROOVE BENDING / TRANSCRIPTION-DNA COMPLEX | ||||||
Function / homology | ![]() guanine binding / negative regulation of purine nucleotide biosynthetic process / purine nucleotide biosynthetic process / DNA-binding transcription repressor activity / transcription cis-regulatory region binding / DNA-binding transcription factor activity / negative regulation of DNA-templated transcription / regulation of DNA-templated transcription / protein homodimerization activity / cytosol Similarity search - Function | ||||||
Biological species | ![]() ![]() synthetic construct (others) | ||||||
Method | ![]() | ||||||
![]() | Arvidson, D.N. / Lu, F. / Faber, C. / Zalkin, H. / Brennan, R.G. | ||||||
![]() | ![]() Title: The structure of PurR mutant L54M shows an alternative route to DNA kinking. Authors: Arvidson, D.N. / Lu, F. / Faber, C. / Zalkin, H. / Brennan, R.G. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 91.7 KB | Display | ![]() |
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PDB format | ![]() | 65.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 391.4 KB | Display | ![]() |
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Full document | ![]() | 416 KB | Display | |
Data in XML | ![]() | 11.6 KB | Display | |
Data in CIF | ![]() | 17.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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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Details | THE COMPLEX LIES ON A CRYSTALLOGRAPHIC TWO-FOLD AXIS, AND ONLY ONE MONOMER-DNA HALF-SITE CONSTITUTES THE ASYMMETRIC UNIT. THE COORDINATES COMPRISE ONE REPRESSOR MONOMER AND ONE DNA STRAND FOR THE ENTIRE SITE. THE FULL COMPLEX CAN BE CONSTRUCTED BY GENERATING THE SECOND HALF USING THE CRYSTALLOGRAPHIC SYMMETRY OPERATION (X, -Y, -Z). |
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Components
#1: DNA chain | Mass: 5202.384 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) |
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#2: Protein | Mass: 38109.633 Da / Num. of mol.: 1 / Mutation: L54M Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
#3: Chemical | ChemComp-HPA / |
#4: Water | ChemComp-HOH / |
Compound details | THE LEUCINE 54 LEVERS INTERDIGITATE FROM THE MINOR GROOVE SIDE BETWEEN THE CENTRAL C.G:G.C BASE ...THE LEUCINE 54 LEVERS INTERDIGIT |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.95 Å3/Da / Density % sol: 68.83 % | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | *PLUS Method: vapor diffusion, hanging drop / Details: Schumacher, M.A., (1994) J.Mol.Biol, 242, 302. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Radiation | Scattering type: x-ray |
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Radiation wavelength | Relative weight: 1 |
Reflection | Highest resolution: 2.7 Å / Num. obs: 18486 / % possible obs: 98 % / Net I/σ(I): 8.8 |
Reflection shell | Resolution: 2.7→2.9 Å / % possible all: 79 |
Reflection | *PLUS Highest resolution: 2.7 Å / % possible obs: 98 % / Num. measured all: 71433 / Rmerge(I) obs: 0.068 |
Reflection shell | *PLUS Highest resolution: 2.7 Å / Lowest resolution: 2.9 Å / % possible obs: 79 % / Mean I/σ(I) obs: 1.7 |
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Processing
Software | Name: TNT / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||
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Refinement | Resolution: 2.7→10 Å / Isotropic thermal model: TNT / σ(F): 1.3 / Stereochemistry target values: ENGH AND HUBER
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Solvent computation | Bsol: 150 Å2 / ksol: 0.8 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.7→10 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.7→2.9 Å / % reflection obs: 79 % | ||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Highest resolution: 2.7 Å / Lowest resolution: 10 Å / σ(F): 1.3 / Rfactor obs: 0.174 | ||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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