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Yorodumi- PDB-1ing: INFLUENZA A SUBTYPE N2 NEURAMINIDASE COMPLEXED WITH AROMATIC BANA... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1ing | |||||||||
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Title | INFLUENZA A SUBTYPE N2 NEURAMINIDASE COMPLEXED WITH AROMATIC BANA109 INHIBITOR | |||||||||
Components | INFLUENZA A SUBTYPE N2 NEURAMINIDASE | |||||||||
Keywords | HYDROLASE (O-GLYCOSYL) / NEURAMINIDASE / SIALIDASE / HYDROLASE / O-GLYCOSYL | |||||||||
Function / homology | Function and homology information : / : / : / 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 | Influenza A virus | |||||||||
Method | X-RAY DIFFRACTION / Resolution: 2.4 Å | |||||||||
Authors | Jedrzejas, M.J. / Luo, M. | |||||||||
Citation | Journal: J.Med.Chem. / Year: 1995 Title: Structure-based inhibitors of influenza virus sialidase. A benzoic acid lead with novel interaction. Authors: Singh, S. / Jedrzejas, M.J. / Air, G.M. / Luo, M. / Laver, W.G. / Brouillette, W.J. #1: Journal: Acta Crystallogr.,Sect.D / Year: 1995 Title: Benzoic Acid Inhibitors of Influenza Virus Neuraminidase Authors: Luo, M. / Jedrzejas, M.J. / Singh, S. / White, C.L. / Brouillette, W.J. / Air, G.M. / Laver, W.G. #2: Journal: J.Med.Chem. / Year: 1995 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. #3: Journal: Biochemistry / Year: 1995 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. #4: Journal: J.Mol.Biol. / Year: 1991 Title: Three-Dimensional Structure of the Neuraminidase of Influenza Virus A/Tokyo/3/67 at 2.2 A Resolution Authors: Varghese, J.N. / Colman, P.M. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1ing.cif.gz | 216.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1ing.ent.gz | 181.7 KB | Display | PDB format |
PDBx/mmJSON format | 1ing.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1ing_validation.pdf.gz | 3.2 MB | Display | wwPDB validaton report |
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Full document | 1ing_full_validation.pdf.gz | 3.2 MB | Display | |
Data in XML | 1ing_validation.xml.gz | 28.1 KB | Display | |
Data in CIF | 1ing_validation.cif.gz | 40.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/in/1ing ftp://data.pdbj.org/pub/pdb/validation_reports/in/1ing | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 43141.012 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Influenza A virus / Genus: Influenzavirus A / Strain: A/TOKYO/3/67 / References: UniProt: P06820, exo-alpha-sialidase |
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-Sugars , 4 types, 8 molecules
#2: Polysaccharide | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose Source method: isolated from a genetically manipulated source #3: Polysaccharide | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6) ...beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Source method: isolated from a genetically manipulated source #4: Polysaccharide | Source method: isolated from a genetically manipulated source #5: Polysaccharide | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1- ...beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Source method: isolated from a genetically manipulated source |
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-Non-polymers , 3 types, 254 molecules
#6: Chemical | #7: Chemical | #8: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 3.36 Å3/Da / Density % sol: 58 % |
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Crystal grow | pH: 11.8 / Details: pH 11.8 |
Crystal grow | *PLUS Method: vapor diffusion, hanging drop |
-Data collection
Diffraction source | Wavelength: 1.5418 |
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Detector | Type: SIEMENS / Detector: AREA DETECTOR / Date: Nov 20, 1993 |
Radiation | Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Num. obs: 21824 / Observed criterion σ(I): 1 / Redundancy: 5 % / Rmerge(I) obs: 0.106 |
Reflection | *PLUS Highest resolution: 1.9 Å |
-Processing
Software |
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Refinement | Resolution: 2.4→6.5 Å / σ(F): 4 Details: THE REFINED MODEL COORDINATES DEPOSITED CONTAIN THE FULL PROTEIN SEQUENCE FROM VAL 82 TO ILE 469. THE CALCIUM RESIDUE, CA 470, STABILIZES A LOOP NEAR THE NEURAMINIDASE ACTIVE SITE. THE ...Details: THE REFINED MODEL COORDINATES DEPOSITED CONTAIN THE FULL PROTEIN SEQUENCE FROM VAL 82 TO ILE 469. THE CALCIUM RESIDUE, CA 470, STABILIZES A LOOP NEAR THE NEURAMINIDASE ACTIVE SITE. THE BANA109 INHIBITOR IS RESIDUE ST1 471.
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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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