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- PDB-1ivb: STRUCTURES OF AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE -
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Open data
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Basic information
Entry | Database: PDB / ID: 1ivb | ||||||
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Title | STRUCTURES OF AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE | ||||||
![]() | INFLUENZA VIRUS B/LEE/40 NEURAMINIDASE | ||||||
![]() | HYDROLASE (O-GLYCOSYL) | ||||||
Function / homology | ![]() exo-alpha-(2->3)-sialidase activity / exo-alpha-(2->6)-sialidase activity / exo-alpha-(2->8)-sialidase activity / exo-alpha-sialidase / viral budding from plasma membrane / carbohydrate metabolic process / host cell plasma membrane / virion membrane / membrane / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() | ||||||
![]() | Jedrzejas, M.J. / Luo, M. | ||||||
![]() | ![]() Title: Structures of aromatic inhibitors of influenza virus neuraminidase. Authors: Jedrzejas, M.J. / Singh, S. / Brouillette, W.J. / Laver, W.G. / Air, G.M. / Luo, M. #1: ![]() Title: Structure-Based Inhibitors of Influenza Viral Neuraminidase. A Benzoic Acid Lead with Novel Interaction Authors: Singh, S. / Jedrzejas, M.J. / Air, G.M. / Luo, M. / Laver, W.G. / Brouillette, W.J. #2: ![]() Title: Structure of Influenza Virus Neuraminidase B(Slash)Lee(Slash)40 Complexed with Sialic Acid and a Dehydro Analog at 1.8 Angstroms Resolution: Implications for the Catalytic Mechanism Authors: Janakiraman, M.N. / White, C.L. / Laver, W.G. / Air, G.M. / Luo, M. #3: ![]() Title: Three-Dimensional Structure of the Neuraminidase of Influenza Virus A(Slash)Tokyo(Slash)3(Slash)67 at 2.2 Angstroms Resolution Authors: Varghese, J.N. / Colman, P.M. #4: ![]() Title: Refined Atomic Structures of N9 Subtype Influenza Virus Neuraminidase and Escape Mutants Authors: Tulip, W.R. / Varghese, J.N. / Baker, A.T. / Van Donkelaar, A. / Laver, W.G. / Webster, R.G. / Colman, P.M. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 91.3 KB | Display | ![]() |
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PDB format | ![]() | 71.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 432.1 KB | Display | ![]() |
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Full document | ![]() | 449 KB | Display | |
Data in XML | ![]() | 12.9 KB | Display | |
Data in CIF | ![]() | 17.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related 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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Atom site foot note | 1: CIS PROLINE - PRO 139 / 2: CIS PROLINE - PRO 326 | ||||||||
Components on special symmetry positions |
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Components
#1: Protein | Mass: 43460.348 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() | ||||||
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#2: Sugar | ChemComp-NAG / | ||||||
#3: Chemical | #4: Chemical | ChemComp-ST1 / | Nonpolymer details | TWO CALCIUMS ATOMS ARE INCLUDED IN THE REFINED STRUCTURE. CA 500 STABILIZES A LOOP NEAR THE ...TWO CALCIUMS ATOMS ARE INCLUDED IN THE REFINED STRUCTURE. CA 500 STABILIZES | Source details | MOLECULE_NAME: BANA105 SYNTHETIC. SEE SINGH ET AL. (SUBMITTED TO J. MED CHEM.) AND JEDRZEJAS ET AL. ...MOLECULE_NAME: BANA105 SYNTHETIC. SEE SINGH ET AL. (SUBMITTED TO J. MED CHEM.) AND JEDRZEJAS ET AL. (ACCEPTED BY BIOCHEMIST | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.2 Å3/Da / Density % sol: 61.59 % | ||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Details: NATIVE CRYSTALS SOAKED IN 5MM BANA105 SOLUTION, PH 7.4. | ||||||||||||||||||||||||||||||||||||||||||
Crystal | *PLUS Density % sol: 56 % | ||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 7.4 / Method: vapor diffusion, hanging drop / Details: Lin, Y., (1990) J. Mol. Biol., 214, 639. | ||||||||||||||||||||||||||||||||||||||||||
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 | Num. obs: 15271 / Observed criterion σ(I): 1 |
Reflection | *PLUS Rmerge(I) obs: 0.104 |
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Processing
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Refinement | Resolution: 2.4→6.5 Å / σ(F): 4 /
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Refinement step | Cycle: LAST / Resolution: 2.4→6.5 Å
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Refine LS restraints |
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Refine LS restraints | *PLUS Type: x_angle_d / Dev ideal: 2.142 |