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- PDB-1inw: A SIALIC ACID DERIVED PHOSPHONATE ANALOG INHIBITS DIFFERENT STRAI... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1inw | |||||||||
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Title | A SIALIC ACID DERIVED PHOSPHONATE ANALOG INHIBITS DIFFERENT STRAINS OF INFLUENZA VIRUS NEURAMINIDASE WITH DIFFERENT EFFICIENCIES | |||||||||
![]() | INFLUENZA A SUBTYPE N2 NEURAMINIDASE | |||||||||
![]() | HYDROLASE / O-GLYCOSYL / NEURAMINIDASE / SIALIDASE | |||||||||
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 | ![]() | |||||||||
![]() | White, C.L. / Janakiraman, M.N. / Laver, W.G. / Philippon, C. / Vasella, A. / Air, G.M. / Luo, M. | |||||||||
![]() | ![]() Title: A sialic acid-derived phosphonate analog inhibits different strains of influenza virus neuraminidase with different efficiencies. Authors: White, C.L. / Janakiraman, M.N. / Laver, W.G. / Philippon, C. / Vasella, A. / Air, G.M. / Luo, M. #1: ![]() 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. #2: ![]() Title: Three-Dimensional Structure of the Influenza Virus A(Slash)Tokyo(Slash)3(Slash)67 at 2.2 Angstroms Resolution Authors: Varghese, J.N. / Colman, P.M. #3: ![]() Title: Refined Atomic Structures of N9 Subtype Influenza Virus Neuraminidase and Escape Mutants Authors: Lip, W.R. / Varghese, J.N. / Baker, A.T. / Van Danelaar, A. / Laver, W.G. / Webster, R.G. / Colman, P.M. #4: ![]() Title: Phosphonic-Acid Analogs of the N-Acetyl-2-Deoxyneuraminic Acids: Synthesis and Inhibition of Vibrio Choleae Sialidase Authors: Walliman, K. / Vasella, 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 | ![]() | 113 KB | Display | ![]() |
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PDB format | ![]() | 91.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.1 MB | Display | ![]() |
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Full document | ![]() | 1.2 MB | Display | |
Data in XML | ![]() | 12.3 KB | Display | |
Data in CIF | ![]() | 17.5 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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Unit cell |
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Atom site foot note | 1: CIS PROLINE - PRO 285 / 2: CIS PROLINE - PRO 326 |
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Components
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 43141.012 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() |
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-Sugars , 3 types, 5 molecules ![](data/chem/img/NAG.gif)
![](data/chem/img/AXP.gif)
![](data/chem/img/AXP.gif)
#2: Polysaccharide | alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2- ...alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose Source method: isolated from a genetically manipulated source | ||
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#3: Sugar | #4: Sugar | ChemComp-AXP / ( | |
-Non-polymers , 2 types, 87 molecules ![](data/chem/img/CA.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/HOH.gif)
#5: Chemical | ChemComp-CA / |
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#6: Water | ChemComp-HOH / |
-Details
Nonpolymer details | THE CALCIUM RESIDUE, CA 470, STABILIZES A LOOP NEAR THE NEURAMINIDASE ACTIVE SITE. THE AXIAL ...THE CALCIUM RESIDUE, CA 470, STABILIZES |
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Source details | APANA SEE WALLIMAN & VASELLA (1990) FOR SYNTHESIS |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal grow | Details: NATIVE CRYSTALS SOAKED IN 10MM APANA SOLUTION, PH 7.2. | ||||||||||||||||||||||||
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Crystal grow | *PLUS pH: 7.2 / 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 | Num. obs: 37401 / % possible obs: 75.9 % / Observed criterion σ(I): 2 |
Reflection | *PLUS Highest resolution: 2.42 Å / Lowest resolution: 9999 Å / % possible obs: 76 % / Redundancy: 1.45 % / Rmerge(I) obs: 0.0738 |
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Processing
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Refinement | Resolution: 2.4→8 Å / σ(F): 2 /
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Displacement parameters | Biso mean: 12.79 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine analyze | Luzzati coordinate error obs: 0.39 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.4→8 Å
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Refine LS restraints |
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Software | *PLUS Name: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor obs: 0.206 / Rfactor Rwork: 0.206 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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