+Open data
-Basic information
Entry | Database: PDB / ID: 2x93 | |||||||||
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Title | Crystal structure of AnCE-trandolaprilat complex | |||||||||
Components | ANGIOTENSIN CONVERTING ENZYME | |||||||||
Keywords | HYDROLASE / METALLOPROTEASE / CARBOXYPEPTIDASE / ACE INHIBITOR / GLYCOPROTEIN | |||||||||
Function / homology | Function and homology information Metabolism of Angiotensinogen to Angiotensins / metamorphosis / response to symbiotic bacterium / peptidyl-dipeptidase A / sexual reproduction / positive regulation of systemic arterial blood pressure / peptide hormone processing / regulation of systemic arterial blood pressure by renin-angiotensin / peptidyl-dipeptidase activity / carboxypeptidase activity ...Metabolism of Angiotensinogen to Angiotensins / metamorphosis / response to symbiotic bacterium / peptidyl-dipeptidase A / sexual reproduction / positive regulation of systemic arterial blood pressure / peptide hormone processing / regulation of systemic arterial blood pressure by renin-angiotensin / peptidyl-dipeptidase activity / carboxypeptidase activity / metallopeptidase activity / proteolysis / extracellular space / metal ion binding / plasma membrane Similarity search - Function | |||||||||
Biological species | DROSOPHILA MELANOGASTER (fruit fly) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.98 Å | |||||||||
Authors | Akif, M. / Georgiadis, D. / Mahajan, A. / Dive, V. / Sturrock, E.D. / Isaac, R.E. / Acharya, K.R. | |||||||||
Citation | Journal: J.Mol.Biol. / Year: 2010 Title: High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs. Authors: Akif, M. / Georgiadis, D. / Mahajan, A. / Dive, V. / Sturrock, E.D. / Isaac, R.E. / Acharya, K.R. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2x93.cif.gz | 145.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2x93.ent.gz | 115.6 KB | Display | PDB format |
PDBx/mmJSON format | 2x93.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2x93_validation.pdf.gz | 1.1 MB | Display | wwPDB validaton report |
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Full document | 2x93_full_validation.pdf.gz | 1.1 MB | Display | |
Data in XML | 2x93_validation.xml.gz | 28.7 KB | Display | |
Data in CIF | 2x93_validation.cif.gz | 43.1 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/x9/2x93 ftp://data.pdbj.org/pub/pdb/validation_reports/x9/2x93 | HTTPS FTP |
-Related structure data
Related structure data | 2x8yC 2x8zC 2x90C 2x91C 2x92C 2x94C 2x95C 2x96C 2x97C C: citing same article (ref.) |
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Similar 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, 1 molecules A
#1: Protein | Mass: 69239.680 Da / Num. of mol.: 1 / Fragment: RESIDUES 17-615 Source method: isolated from a genetically manipulated source Source: (gene. exp.) DROSOPHILA MELANOGASTER (fruit fly) / Plasmid: PPIC9 / Production host: PICHIA PASTORIS (fungus) / Strain (production host): GS115 / References: UniProt: Q10714, peptidyl-dipeptidase A |
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-Sugars , 2 types, 3 molecules
#2: Polysaccharide | beta-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D- ...beta-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-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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#5: Sugar |
-Non-polymers , 4 types, 525 molecules
#3: Chemical | #4: Chemical | ChemComp-ZN / | #6: Chemical | ChemComp-X93 / | #7: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 3.81 Å3/Da / Density % sol: 67.43 % / Description: NONE |
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Crystal grow | pH: 7.5 / Details: pH 7.5 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.9763 |
Detector | Type: ADSC CCD / Detector: CCD / Date: Dec 9, 2009 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9763 Å / Relative weight: 1 |
Reflection | Resolution: 1.98→50 Å / Num. obs: 80566 / % possible obs: 96.9 % / Observed criterion σ(I): 2 / Redundancy: 2.4 % / Biso Wilson estimate: 22.05 Å2 / Rmerge(I) obs: 0.08 / Net I/σ(I): 9.6 |
Reflection shell | Resolution: 1.98→2.05 Å / Redundancy: 2.3 % / Rmerge(I) obs: 0.26 / Mean I/σ(I) obs: 3.7 / % possible all: 87.9 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.98→28.76 Å / Cor.coef. Fo:Fc: 0.951 / Cor.coef. Fo:Fc free: 0.942 / SU B: 2.754 / SU ML: 0.078 / Cross valid method: THROUGHOUT / ESU R: 0.126 / ESU R Free: 0.115 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 25.699 Å2
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Refinement step | Cycle: LAST / Resolution: 1.98→28.76 Å
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