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- PDB-1tw7: Wide Open 1.3A Structure of a Multi-drug Resistant HIV-1 Protease... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1tw7 | ||||||
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Title | Wide Open 1.3A Structure of a Multi-drug Resistant HIV-1 Protease Represents a Novel Drug Target | ||||||
![]() | protease | ||||||
![]() | HYDROLASE / HIV protease / AIDS / polyprotein / aspartyl protease / multi-drug resistance | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Martin, P. / Vickrey, J.F. / Proteasa, G. / Jimenez, Y.L. / Wawrzak, Z. / Winters, M.A. / Merigan, T.C. / Kovari, L.C. | ||||||
![]() | ![]() Title: Wide Open 1.3A Structure of a Multi-drug Resistant HIV-1 Protease Represents a Novel Drug Target Authors: Martin, P. / Vickrey, J.F. / Proteasa, G. / Jimenez, Y.L. / Wawrzak, Z. / Winters, M.A. / Merigan, T.C. / Kovari, L.C. #1: ![]() Title: Crystal structures of a Multidrug-Resistant human immunodeficiency virus type 1 Protease Reveal an Expanded Active-Site Cavity Authors: Logsdon, B.C. / Vickrey, J.F. / Martin, P. / Proteasa, G. / Kopeke, J.I. / Terlecky, S.R. / Wawrzak, Z. / Winters, M.A. / Merigan, T.C. / Kovari, L.C. #2: ![]() Title: HIV-1 Protease variants from 100-fold drug resistant clinical isolates: expression, purification, and crystallization. Authors: Vickrey, J.F. / Logsdon, B.C. / Proteasa, G. / Palmer, S. / Winters, M.A. / Merigan, T.C. / Kovari, L.C. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 108.4 KB | Display | ![]() |
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PDB format | ![]() | 83.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Summary document | ![]() | 432.2 KB | Display | ![]() |
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Full document | ![]() | 434.9 KB | Display | |
Data in XML | ![]() | 14.5 KB | Display | |
Data in CIF | ![]() | 21.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1rq9S 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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Unit cell |
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Components
#1: Protein | Mass: 10739.608 Da / Num. of mol.: 2 Mutation: L10I, D25N, M36V, M46L, I54V, I62V, L63P, A71V, V82A, I84V, L90M Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: GenBank: 30142908, UniProt: Q5RTL1*PLUS, HIV-1 retropepsin #2: Chemical | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.5 Å3/Da / Density % sol: 50.74 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: sodium chloride, MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 210 / Detector: CCD / Date: Jul 27, 2003 |
Radiation | Monochromator: SILCON / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.3→20 Å / Num. obs: 38356 / % possible obs: 74.7 % / Rsym value: 0.043 / Net I/σ(I): 30.5 |
Reflection shell | Resolution: 1.3→1.35 Å / % possible all: 0.26 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB entry 1RQ9 Resolution: 1.3→20 Å / Num. parameters: 17519 / Num. restraintsaints: 20756 / Cross valid method: FREE R / σ(F): 1.5 / Stereochemistry target values: Engh & Huber Details: ANISOTROPIC REFINEMENT REDUCED FREE R (NO CUTOFF) BY 0.035
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Refine analyze | Num. disordered residues: 11 / Occupancy sum hydrogen: 0 / Occupancy sum non hydrogen: 1889.3 | |||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.3→20 Å
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Refine LS restraints |
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