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- PDB-6dh1: Crystal structure of HIV-1 Protease NL4-3 I84V Mutant in complex ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6dh1 | ||||||
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Title | Crystal structure of HIV-1 Protease NL4-3 I84V Mutant in complex with UMass1 | ||||||
![]() | Protease | ||||||
![]() | HYDROLASE/HYDROLASE INHIBITOR / HIV / Protease / NL4-3 / DRUG RESISTANCE / PROTEASE INHIBITOR / HYDROLASE INHIBITOR COMPLEX / HYDROLASE / HYDROLASE-HYDROLASE INHIBITOR complex | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Lockbaum, G.J. / Schiffer, C.A. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease. Authors: Lockbaum, G.J. / Leidner, F. / Rusere, L.N. / Henes, M. / Kosovrasti, K. / Nachum, G.S. / Nalivaika, E.A. / Ali, A. / Yilmaz, N.K. / Schiffer, C.A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 89.9 KB | Display | ![]() |
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PDB format | ![]() | 68.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 774 KB | Display | ![]() |
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Full document | ![]() | 777.5 KB | Display | |
Data in XML | ![]() | 11.9 KB | Display | |
Data in CIF | ![]() | 16.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6dgxC ![]() 6dgyC ![]() 6dgzC ![]() 6dh0C ![]() 6dh2C ![]() 6dh3C ![]() 6dh4C ![]() 6dh5C ![]() 6dh6C ![]() 6dh7C ![]() 6dh8C ![]() 4ll3S 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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Unit cell |
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Components
#1: Protein | Mass: 10817.807 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Chemical | #3: Chemical | ChemComp-K13 / ( | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.13 Å3/Da / Density % sol: 42.31 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop Details: 23-24% (w/v) Ammonium Sulfate, 0.1M Bis-Tris-Methane-HCl Buffer pH 5.5 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU SATURN 944 / Detector: CCD / Date: Feb 11, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54178 Å / Relative weight: 1 |
Reflection | Resolution: 1.971→23.367 Å / Num. obs: 12875 / % possible obs: 94.6 % / Redundancy: 5.7 % / Net I/σ(I): 8.9 |
Reflection shell | Resolution: 1.971→2.1235 Å |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 4LL3 Resolution: 1.971→23.367 Å / SU ML: 0.22 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 24.46
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | ||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.971→23.367 Å
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Refine LS restraints |
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LS refinement shell |
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