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- PDB-1t7j: crystal structure of inhibitor amprenavir in complex with a multi... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1t7j | ||||||
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Title | crystal structure of inhibitor amprenavir in complex with a multi-drug resistant variant of HIV-1 protease (L63P/V82T/I84V) | ||||||
![]() | Pol Polyprotein | ||||||
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Function / homology | ![]() : / : / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | King, N.M. / Prabu-Jeyabalan, M. / Nalivaika, E.A. / Wigerinck, P.B.T.P. / De Bethune, M.-P. / Schiffer, C.A. | ||||||
![]() | ![]() Title: Discovery and selection of TMC114, a next generation HIV-1 protease inhibitor Authors: Surleraux, D.L.N.G. / Tahri, A. / Verschueren, W.G. / Pille, G.M.E. / de Kock, H.A. / Jonckers, T.H.M. / Peeters, A. / De Meyer, S. / Azijn, H. / Pauwels, R. / de Bethune, M.-P. / King, N.M. ...Authors: Surleraux, D.L.N.G. / Tahri, A. / Verschueren, W.G. / Pille, G.M.E. / de Kock, H.A. / Jonckers, T.H.M. / Peeters, A. / De Meyer, S. / Azijn, H. / Pauwels, R. / de Bethune, M.-P. / King, N.M. / Prabu-Jeyabalan, M. / Schiffer, C.A. / Wigerinck, P.B.T.P. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 55 KB | Display | ![]() |
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PDB format | ![]() | 39.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 1t3rC ![]() 1t7iC ![]() 1f7aS 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: 10831.750 Da / Num. of mol.: 2 / Fragment: Protease / Mutation: Q7K/K14R/V82T/I84V Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() #2: Chemical | ChemComp-ACT / ![]() #3: Chemical | ChemComp-478 / { | ![]() #4: Water | ChemComp-HOH / | ![]() |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.16 Å3/Da / Density % sol: 43.11 % |
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Crystal grow![]() | Temperature: 280 K / Method: vapor diffusion, hanging drop / pH: 6.2 Details: AMMONIUM SULPHATE, SODIUM PHOSPHATE, SODIUM CITRATE, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 280K |
-Data collection
Diffraction | Mean temperature: 298 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Details: OSMIC |
Radiation | Monochromator: OSMIC MIRRORS / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.2→43 Å / Num. all: 9705 / Num. obs: 9705 / % possible obs: 96.8 % / Observed criterion σ(F): -30 / Observed criterion σ(I): -30 / Redundancy: 5 % / Rmerge(I) obs: 0.087 / Net I/σ(I): 5.9 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 1F7A Resolution: 2.2→40 Å / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber
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Displacement parameters |
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Refinement step | Cycle: LAST / Resolution: 2.2→40 Å
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Refine LS restraints |
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