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- PDB-1a4q: INFLUENZA VIRUS B/BEIJING/1/87 NEURAMINIDASE COMPLEXED WITH DIHYD... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1a4q | ||||||
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Title | INFLUENZA VIRUS B/BEIJING/1/87 NEURAMINIDASE COMPLEXED WITH DIHYDROPYRAN-PHENETHYL-PROPYL-CARBOXAMIDE | ||||||
![]() | NEURAMINIDASE | ||||||
![]() | HYDROLASE / GLYCOSIDASE / GLYCOSYLATED PROTEIN | ||||||
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 | ![]() ![]() | ||||||
![]() | Cleasby, A. / Singh, O. / Skarzynski, T. / Wonacott, A.J. | ||||||
![]() | ![]() Title: Dihydropyrancarboxamides related to zanamivir: a new series of inhibitors of influenza virus sialidases. 2. Crystallographic and molecular modeling study of complexes of 4-amino-4H-pyran-6- ...Title: Dihydropyrancarboxamides related to zanamivir: a new series of inhibitors of influenza virus sialidases. 2. Crystallographic and molecular modeling study of complexes of 4-amino-4H-pyran-6-carboxamides and sialidase from influenza virus types A and B. Authors: Taylor, N.R. / Cleasby, A. / Singh, O. / Skarzynski, T. / Wonacott, A.J. / Smith, P.W. / Sollis, S.L. / Howes, P.D. / Cherry, P.C. / Bethell, R. / Colman, P. / Varghese, J. #1: ![]() Title: The 2.2 A Resolution Crystal Structure of Influenza B Neuraminidase and its Complex with Sialic Acid Authors: Burmeister, W.P. / Ruigrok, R.W. / Cusack, S. #2: ![]() Title: Sequence and Crystallization of Influenza Virus B/Beijing/1/87 Neuraminidase Authors: Burmeister, W.P. / Daniels, R.S. / Dayan, S. / Gagnon, J. / Cusack, S. / Ruigrok, R.W. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 171.9 KB | Display | ![]() |
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PDB format | ![]() | 138 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 524 KB | Display | ![]() |
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Full document | ![]() | 534.9 KB | Display | |
Data in XML | ![]() | 17.8 KB | Display | |
Data in CIF | ![]() | 29.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1a4gC ![]() 1bjiC ![]() 1nscS 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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1 | ![]()
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (0.25, 0.433, -0.866), |
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Components
#1: Protein | Mass: 43429.254 Da / Num. of mol.: 2 / Fragment: RESIDUES 76-465 / Source method: isolated from a natural source / Source: (natural) ![]() #2: Sugar | #3: Chemical | #4: Sugar | #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.86 Å3/Da / Density % sol: 57.05 % | |||||||||||||||
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Crystal grow | pH: 7.8 / Details: pH 7.8 | |||||||||||||||
Crystal grow | *PLUS Method: seeding / PH range low: 8 / PH range high: 7.5 | |||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Feb 1, 1995 / Details: MIRROR |
Radiation | Monochromator: SI(111) / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.87 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→34 Å / Num. obs: 208669 / % possible obs: 97.4 % / Observed criterion σ(I): 5 / Redundancy: 2.7 % / Rmerge(I) obs: 0.092 |
Reflection | *PLUS Num. obs: 77084 / Num. measured all: 208669 |
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Processing
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Refinement | Method to determine structure: DIFFERENCE FOURIER Starting model: 1NSC Resolution: 1.9→34 Å Details: THE TWO MONOMERS IN THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT HAVE BEEN REFINED INDEPENDENTLY.
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Refinement step | Cycle: LAST / Resolution: 1.9→34 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.9→1.99 Å / Total num. of bins used: 8
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Xplor file |
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Software | *PLUS Name: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Rfactor obs: 0.286 |