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Yorodumi- PDB-4aph: Human angiotensin-converting enzyme in complex with angiotensin-II -
+Open data
-Basic information
Entry | Database: PDB / ID: 4aph | |||||||||
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Title | Human angiotensin-converting enzyme in complex with angiotensin-II | |||||||||
Components |
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Keywords | HYDROLASE/HORMONE / HYDROLASE-HORMONE COMPLEX / ZINC METALLOPROTEASE / METALLOPEPTIDASE | |||||||||
Function / homology | Function and homology information regulation of blood volume by renin-angiotensin / response to muscle activity involved in regulation of muscle adaptation / type 2 angiotensin receptor binding / : / regulation of renal sodium excretion / maintenance of blood vessel diameter homeostasis by renin-angiotensin / negative regulation of neurotrophin TRK receptor signaling pathway / regulation of extracellular matrix assembly / mononuclear cell proliferation / cell proliferation in bone marrow ...regulation of blood volume by renin-angiotensin / response to muscle activity involved in regulation of muscle adaptation / type 2 angiotensin receptor binding / : / regulation of renal sodium excretion / maintenance of blood vessel diameter homeostasis by renin-angiotensin / negative regulation of neurotrophin TRK receptor signaling pathway / regulation of extracellular matrix assembly / mononuclear cell proliferation / cell proliferation in bone marrow / bradykinin receptor binding / regulation of angiotensin metabolic process / exopeptidase activity / substance P catabolic process / peptidyl-dipeptidase A / tripeptidyl-peptidase activity / regulation of renal output by angiotensin / positive regulation of activation of Janus kinase activity / negative regulation of calcium ion import / positive regulation of peptidyl-cysteine S-nitrosylation / response to laminar fluid shear stress / G protein-coupled receptor signaling pathway coupled to cGMP nucleotide second messenger / renal system process / renin-angiotensin regulation of aldosterone production / negative regulation of gap junction assembly / metallodipeptidase activity / positive regulation of systemic arterial blood pressure / positive regulation of branching involved in ureteric bud morphogenesis / positive regulation of extracellular matrix assembly / positive regulation of macrophage derived foam cell differentiation / cellular response to aldosterone / hormone catabolic process / bradykinin catabolic process / angiogenesis involved in coronary vascular morphogenesis / response to thyroid hormone / antigen processing and presentation of peptide antigen via MHC class I / negative regulation of glucose import / vasoconstriction / positive regulation of CoA-transferase activity / hormone metabolic process / neutrophil mediated immunity / type 1 angiotensin receptor binding / regulation of smooth muscle cell migration / regulation of hematopoietic stem cell proliferation / low-density lipoprotein particle remodeling / positive regulation of extrinsic apoptotic signaling pathway / response to angiotensin / mitogen-activated protein kinase binding / embryo development ending in birth or egg hatching / chloride ion binding / mitogen-activated protein kinase kinase binding / positive regulation of neurogenesis / positive regulation of epidermal growth factor receptor signaling pathway / arachidonic acid secretion / eating behavior / post-transcriptional regulation of gene expression / heterocyclic compound binding / lung alveolus development / heart contraction / peptide catabolic process / positive regulation of cardiac muscle hypertrophy / response to dexamethasone / regulation of heart rate by cardiac conduction / regulation of systemic arterial blood pressure by renin-angiotensin / positive regulation of gap junction assembly / positive regulation of protein tyrosine kinase activity / regulation of vasoconstriction / regulation of cardiac conduction / hematopoietic stem cell differentiation / peptidyl-dipeptidase activity / blood vessel remodeling / amyloid-beta metabolic process / angiotensin maturation / animal organ regeneration / Metabolism of Angiotensinogen to Angiotensins / positive regulation of epithelial to mesenchymal transition / nitric oxide-cGMP-mediated signaling / positive regulation of vasoconstriction / carboxypeptidase activity / sperm midpiece / positive regulation of protein metabolic process / positive regulation of endothelial cell migration / blood vessel diameter maintenance / Peptide ligand-binding receptors / response to nutrient levels / basal plasma membrane / negative regulation of MAP kinase activity / kidney development / positive regulation of cytokine production / angiotensin-activated signaling pathway / female pregnancy / regulation of cell growth / cellular response to glucose stimulus / brush border membrane / growth factor activity / serine-type endopeptidase inhibitor activity / regulation of synaptic plasticity / hormone activity / PPARA activates gene expression / metalloendopeptidase activity Similarity search - Function | |||||||||
Biological species | HOMO SAPIENS (human) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.99 Å | |||||||||
Authors | Masuyer, G. / Schwager, S.L.U. / Sturrock, E.D. / Isaac, R.E. / Acharya, K.R. | |||||||||
Citation | Journal: Sci.Rep. / Year: 2012 Title: Molecular Recognition and Regulation of Human Angiotensin-I Converting Enzyme (Ace) Activity by Natural Inhibitory Peptides. Authors: Masuyer, G. / Schwager, S.L.U. / 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 | 4aph.cif.gz | 260.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4aph.ent.gz | 208.2 KB | Display | PDB format |
PDBx/mmJSON format | 4aph.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 4aph_validation.pdf.gz | 1.1 MB | Display | wwPDB validaton report |
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Full document | 4aph_full_validation.pdf.gz | 1.1 MB | Display | |
Data in XML | 4aph_validation.xml.gz | 26.4 KB | Display | |
Data in CIF | 4aph_validation.cif.gz | 38.1 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ap/4aph ftp://data.pdbj.org/pub/pdb/validation_reports/ap/4aph | HTTPS FTP |
-Related structure data
Related structure data | 4apjC 1o8aS S: Starting model for refinement 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 / Protein/peptide , 2 types, 2 molecules AP
#1: Protein | Mass: 68068.922 Da / Num. of mol.: 1 / Fragment: EXTRACELLULAR DOMAIN, RESIDUES 68-656 Source method: isolated from a genetically manipulated source Source: (gene. exp.) HOMO SAPIENS (human) / Production host: CRICETULUS GRISEUS (Chinese hamster) References: UniProt: P12821, Hydrolases; Glycosylases; Glycosidases, i.e. enzymes that hydrolyse O- and S-glycosyl compounds, peptidyl-dipeptidase A |
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#2: Protein/peptide | Mass: 1048.195 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) HOMO SAPIENS (human) / References: UniProt: P01019 |
-Sugars , 2 types, 2 molecules
#3: Polysaccharide | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta- ...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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#7: Sugar | ChemComp-NAG / |
-Non-polymers , 5 types, 294 molecules
#4: Chemical | #5: Chemical | ChemComp-ZN / | #6: Chemical | ChemComp-PE4 / | #8: Chemical | ChemComp-ACT / #9: 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: 2.4 Å3/Da / Density % sol: 49 % / Description: NONE |
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Crystal grow | pH: 4.7 Details: 50MM SODIUM ACETATE PH 4.7, 16% PEG4000, 10UM ZNSO4 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: Diamond / Beamline: I04 / Wavelength: 0.979 |
Detector | Type: DECTRIS PILATUS-2M / Detector: PIXEL / Date: Feb 9, 2012 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.979 Å / Relative weight: 1 |
Reflection | Resolution: 1.99→52.53 Å / Num. obs: 37104 / % possible obs: 82.9 % / Observed criterion σ(I): 0 / Redundancy: 4.7 % / Rmerge(I) obs: 0.11 / Net I/σ(I): 10.7 |
Reflection shell | Resolution: 1.99→2.1 Å / Redundancy: 4.9 % / Rmerge(I) obs: 0.62 / Mean I/σ(I) obs: 2.6 / % possible all: 79.1 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1O8A Resolution: 1.99→71.57 Å / Cor.coef. Fo:Fc: 0.943 / Cor.coef. Fo:Fc free: 0.917 / SU B: 9.258 / SU ML: 0.119 / Cross valid method: THROUGHOUT / ESU R: 0.26 / ESU R Free: 0.202 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. TWO DIFFERENT CONFIRMATIONS ARE VISIBLE FOR ANG II (CHAIN P).
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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: 20.286 Å2
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Refinement step | Cycle: LAST / Resolution: 1.99→71.57 Å
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