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Open data
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Basic information
Entry | Database: PDB / ID: 7doz | ||||||
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Title | HIV-1 Protease D30N mutant in complex with Nelfinavir | ||||||
![]() | Protease | ||||||
![]() | VIRAL PROTEIN / HIV Protease | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Bihani, S.C. / Hosur, M.V. | ||||||
Funding support | 1items
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![]() | ![]() Title: Molecular basis for reduced cleavage activity and drug resistance in D30N HIV-1 protease. Authors: Bihani, S.C. / Gupta, G.D. / Hosur, M.V. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 115 KB | Display | ![]() |
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PDB format | ![]() | 72.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.1 MB | Display | ![]() |
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Full document | ![]() | 1.1 MB | Display | |
Data in XML | ![]() | 11.8 KB | Display | |
Data in CIF | ![]() | 16.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 7dpqC ![]() 3kt2S 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: 21932.789 Da / Num. of mol.: 1 / Mutation: D30N,C95M,C1095A Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() | ||||
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#2: Chemical | #3: Water | ChemComp-HOH / | Has ligand of interest | Y | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.06 Å3/Da / Density % sol: 40.41 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 6.2 Details: 2% saturated Ammonium Sulfate, 200/100 mM phosphate citrate buffer, |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Jul 11, 2007 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.979778 Å / Relative weight: 1 |
Reflection | Resolution: 1.91→26.87 Å / Num. obs: 13778 / % possible obs: 99.5 % / Redundancy: 4.27 % / Biso Wilson estimate: 23.35 Å2 / Rmerge(I) obs: 0.077 / Net I/σ(I): 12.46 |
Reflection shell | Resolution: 1.91→2.01 Å / Rmerge(I) obs: 0.51 / Num. unique obs: 1951 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 3kt2 Resolution: 1.91→26.87 Å / SU ML: 0.2365 / Cross valid method: FREE R-VALUE / σ(F): 1.43 / Phase error: 23.7884 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 32.75 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.91→26.87 Å
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Refine LS restraints |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group | Refine-ID: X-RAY DIFFRACTION / Auth asym-ID: A / Label asym-ID: A
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