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Open data
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Basic information
Entry | Database: PDB / ID: 6oy1 | ||||||
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Title | HIV-1 Protease NL4-3 WT in Complex with LR2-26 | ||||||
![]() | Protease NL4-3 | ||||||
![]() | hydrolase/hydrolase inhibitor / ![]() ![]() ![]() ![]() | ||||||
Function / homology | ![]() : / : / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Lockbaum, G.J. / Rusere, L.N. / Lee, S.K. / Henes, M. / Kosovrasti, K. / Spielvogel, E. / Nalivaika, E.A. / Swanstrom, R. / KurtYilmaz, N. / Schiffer, C.A. / Ali, A. | ||||||
Funding support | ![]()
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![]() | ![]() Title: HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. Authors: Rusere, L.N. / Lockbaum, G.J. / Lee, S.K. / Henes, M. / Kosovrasti, K. / Spielvogel, E. / Nalivaika, E.A. / Swanstrom, R. / Yilmaz, N.K. / Schiffer, C.A. / Ali, 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 | ![]() | 88.6 KB | Display | ![]() |
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PDB format | ![]() | 67.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 6oxoC ![]() 6oxpC ![]() 6oxqC ![]() 6oxrC ![]() 6oxsC ![]() 6oxtC ![]() 6oxuC ![]() 6oxvC ![]() 6oxwC ![]() 6oxxC ![]() 6oxyC ![]() 6oxzC ![]() 6oy0C ![]() 6oy2C ![]() 6dgxS 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: 10831.833 Da / Num. of mol.: 2 / Mutation: Q7K Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() #2: Chemical | ![]() #3: Chemical | ChemComp-NJ1 / ( | #4: Water | ChemComp-HOH / | ![]() |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.11 Å3/Da / Density % sol: 41.8 % |
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Crystal grow![]() | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 5.5 Details: 22-26% (w/v) Ammonium Sulfate, 0.1M Bis-Tris-Methane-HCl Buffer pH 5.5 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU SATURN 944 / Detector: CCD / Date: Jan 29, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2→50 Å / Num. obs: 12065 / % possible obs: 92.7 % / Redundancy: 4.9 % / Net I/σ(I): 32.3 |
Reflection shell | Resolution: 2→2.1973 Å / Num. unique obs: 2848 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 6DGX Resolution: 2→27.405 Å / SU ML: 0.18 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 24.74
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2→27.405 Å
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Refine LS restraints |
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LS refinement shell |
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