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Open data
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Basic information
Entry | Database: PDB / ID: 7dt9 | ||||||
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Title | D30N HIV Protease in complex with Saquinavir | ||||||
![]() | Protease![]() | ||||||
![]() | ![]() ![]() ![]() ![]() | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Bihani, S.C. / Hosur, M.V. | ||||||
![]() | ![]() Title: D30N HIV Protease in complex with Saquinavir Authors: Bihani, S.C. / 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 | ![]() | 113.8 KB | Display | ![]() |
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PDB format | ![]() | 72.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 7dpqS 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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1 |
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Unit cell |
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Components
#1: Protein | ![]() Mass: 21932.789 Da / Num. of mol.: 1 / Mutation: D30N,C95M,D1030N,C1095A Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() |
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#2: Chemical | ChemComp-ROC / (![]() ![]() |
#3: Water | ChemComp-HOH / ![]() |
Has ligand of interest | Y |
-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: 298 K / Method: vapor diffusion, hanging drop / Details: NaCl (1.5M), Sodium acetate buffer (50 mM, pH 4.5) |
-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: Dec 6, 2007 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.89→32.81 Å / Num. obs: 14267 / % possible obs: 96.6 % / Redundancy: 5.7 % / Biso Wilson estimate: 26.28 Å2 / Rmerge(I) obs: 0.061 / Net I/σ(I): 21.43 |
Reflection shell | Resolution: 1.89→1.99 Å / Rmerge(I) obs: 0.685 / Num. unique obs: 1919 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 7DPQ Resolution: 1.89→32.81 Å / SU ML: 0.2181 / Cross valid method: FREE R-VALUE / σ(F): 1.37 / Phase error: 23.8359 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: 34.95 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.89→32.81 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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