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- PDB-1sbg: AN ORALLY-BIOAVAILABLE HIV-1 PROTEASE INHIBITOR CONTAINING AN IMI... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1sbg | ||||||
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Title | AN ORALLY-BIOAVAILABLE HIV-1 PROTEASE INHIBITOR CONTAINING AN IMIDAZOLE-DERIVED PEPTIDE BOND REPLACEMENT. CRYSTALLOGRAPHIC AND PHARMACOKINETIC ANALYSIS | ||||||
![]() | HIV-1 PROTEASE![]() | ||||||
![]() | HYDROLASE(ACID PROTEASE) | ||||||
Function / homology | ![]() : / : / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() | ||||||
![]() | Abdel-Meguid, S. / Zhao, B. | ||||||
![]() | ![]() Title: An orally bioavailable HIV-1 protease inhibitor containing an imidazole-derived peptide bond replacement: crystallographic and pharmacokinetic analysis. Authors: Abdel-Meguid, S.S. / Metcalf, B.W. / Carr, T.J. / Demarsh, P. / DesJarlais, R.L. / Fisher, S. / Green, D.W. / Ivanoff, L. / Lambert, D.M. / Murthy, K.H.M. / Petteway Jr., S.R. / Pitts, W.J. ...Authors: Abdel-Meguid, S.S. / Metcalf, B.W. / Carr, T.J. / Demarsh, P. / DesJarlais, R.L. / Fisher, S. / Green, D.W. / Ivanoff, L. / Lambert, D.M. / Murthy, K.H.M. / Petteway Jr., S.R. / Pitts, W.J. / Tomaszek Jr., T.A. / Winborne, E. / Zhao, B. / Dreyer, G.B. / Meek, T.D. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 50.3 KB | Display | ![]() |
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PDB format | ![]() | 36.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
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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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (-0.508, -0.862, -0.004), Vector ![]() Details | THE TRANSFORMATION PRESENTED ON *MTRIX* RECORDS BELOW WILL YIELD APPROXIMATE COORDINATES FOR CHAIN *A* WHEN APPLIED TO CHAIN *B*. | |
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Components
#1: Protein | ![]() Mass: 10830.781 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Genus: Lentivirus ![]() ![]() ![]() ![]() ![]() #2: Chemical | ChemComp-IM1 / ( | #3: Water | ChemComp-HOH / | ![]() Sequence details | SEQUENCE ADVISORY NOTICE DIFFERENCE BETWEEN SWISS-PROT AND PDB SEQUENCE. SWISS-PROT ENTRY NAME: POL_ ...SEQUENCE ADVISORY NOTICE DIFFERENCE | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.24 Å3/Da / Density % sol: 45.1 % | |||||||||||||||
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Crystal grow![]() | *PLUS pH: 5 / Method: vapor diffusion, hanging drop | |||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Radiation | Scattering type: x-ray |
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Radiation wavelength | Relative weight: 1 |
Reflection | *PLUS Highest resolution: 2.3 Å / Num. obs: 8108 / % possible obs: 95 % / Num. measured all: 36380 / Rmerge(I) obs: 0.052 |
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Processing
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Refinement | Resolution: 2.3→6 Å / Rfactor obs: 0.188 / σ(F): 2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.3→6 Å
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Refine LS restraints |
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Refinement | *PLUS Rfactor obs: 0.188 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |