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Yorodumi- PDB-9qav: Human angiotensin-1 converting enzyme N-domain in complex with en... -
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Open data
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Basic information
| Entry | Database: PDB / ID: 9qav | ||||||
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| Title | Human angiotensin-1 converting enzyme N-domain in complex with enalaprilat | ||||||
Components | Angiotensin-converting enzyme, soluble form | ||||||
Keywords | HYDROLASE / Inhibitor / complex / enalaprilat / hypertension | ||||||
| Function / homology | Function and homology informationmononuclear cell proliferation / cell proliferation in bone marrow / bradykinin receptor binding / exopeptidase activity / regulation of angiotensin metabolic process / substance P catabolic process / tripeptidyl-peptidase activity / peptidyl-dipeptidase A / regulation of renal output by angiotensin / negative regulation of gap junction assembly ...mononuclear cell proliferation / cell proliferation in bone marrow / bradykinin receptor binding / exopeptidase activity / regulation of angiotensin metabolic process / substance P catabolic process / tripeptidyl-peptidase activity / peptidyl-dipeptidase A / regulation of renal output by angiotensin / negative regulation of gap junction assembly / hormone catabolic process / bradykinin catabolic process / metallodipeptidase activity / regulation of smooth muscle cell migration / regulation of hematopoietic stem cell proliferation / neutrophil mediated immunity / hormone metabolic process / mitogen-activated protein kinase binding / mitogen-activated protein kinase kinase binding / chloride ion binding / arachidonate secretion / post-transcriptional regulation of gene expression / peptide catabolic process / heart contraction / antigen processing and presentation of peptide antigen via MHC class I / positive regulation of systemic arterial blood pressure / regulation of heart rate by cardiac conduction / regulation of systemic arterial blood pressure by renin-angiotensin / blood vessel remodeling / amyloid-beta metabolic process / hematopoietic stem cell differentiation / peptidyl-dipeptidase activity / regulation of vasoconstriction / Metabolism of Angiotensinogen to Angiotensins / angiotensin maturation / metallocarboxypeptidase activity / blood vessel diameter maintenance / angiotensin-activated signaling pathway / kidney development / regulation of synaptic plasticity / metalloendopeptidase activity / regulation of blood pressure / male gonad development / metallopeptidase activity / peptidase activity / actin binding / spermatogenesis / endopeptidase activity / calmodulin binding / lysosome / endosome / negative regulation of gene expression / external side of plasma membrane / proteolysis / extracellular space / extracellular exosome / extracellular region / zinc ion binding / plasma membrane Similarity search - Function | ||||||
| Biological species | Homo sapiens (human) | ||||||
| Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.3 Å | ||||||
Authors | Gregory, K.S. / Acharya, K.R. | ||||||
| Funding support | United Kingdom, 1items
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Citation | Journal: Febs J. / Year: 2025Title: Molecular basis of domain-specific angiotensin I-converting enzyme inhibition by the antihypertensive drugs enalaprilat, ramiprilat, trandolaprilat, quinaprilat and perindoprilat. Authors: Gregory, K.S. / Ramasamy, V. / Sturrock, E.D. / Acharya, K.R. | ||||||
| History |
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Structure visualization
| Structure viewer | Molecule: Molmil Jmol/JSmol |
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Downloads & links
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Download
| PDBx/mmCIF format | 9qav.cif.gz | 616.7 KB | Display | PDBx/mmCIF format |
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| PDB format | pdb9qav.ent.gz | 418 KB | Display | PDB format |
| PDBx/mmJSON format | 9qav.json.gz | Tree view | PDBx/mmJSON format | |
| Others | Other downloads |
-Validation report
| Summary document | 9qav_validation.pdf.gz | 3.1 MB | Display | wwPDB validaton report |
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| Full document | 9qav_full_validation.pdf.gz | 3.1 MB | Display | |
| Data in XML | 9qav_validation.xml.gz | 55 KB | Display | |
| Data in CIF | 9qav_validation.cif.gz | 71.4 KB | Display | |
| Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/qa/9qav ftp://data.pdbj.org/pub/pdb/validation_reports/qa/9qav | HTTPS FTP |
-Related structure data
| Related structure data | ![]() 9qanC ![]() 9qaoC ![]() 9qapC ![]() 9qaqC ![]() 9qarC ![]() 9qasC ![]() 9qatC ![]() 9qauC C: citing same article ( |
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| Similar structure data | Similarity search - Function & homology F&H Search |
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Links
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Assembly
| Deposited unit | ![]()
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| 1 | ![]()
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| 2 | ![]()
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| Unit cell |
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| Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments: Component-ID: 1 / Ens-ID: 1 / Beg auth comp-ID: LEU / Beg label comp-ID: LEU / End auth comp-ID: TYR / End label comp-ID: TYR / Auth seq-ID: 1 - 607 / Label seq-ID: 1 - 607
NCS ensembles : (Details: Local NCS retraints between domains: 1 2) |
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Components
-Protein , 1 types, 2 molecules AB
| #1: Protein | Mass: 70366.094 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: ACE, DCP, DCP1 / Production host: ![]() |
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-Sugars , 3 types, 6 molecules 
| #2: Polysaccharide | Source method: isolated from a genetically manipulated source #3: Polysaccharide | Source method: isolated from a genetically manipulated source #11: Sugar | |
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-Non-polymers , 9 types, 196 molecules 
















| #4: Chemical | | #5: Chemical | #6: Chemical | ChemComp-PEG / #7: Chemical | #8: Chemical | ChemComp-EDO / #9: Chemical | #10: Chemical | #12: Chemical | ChemComp-CA / | #13: Water | ChemComp-HOH / | |
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-Details
| Has ligand of interest | Y |
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| Has protein modification | Y |
-Experimental details
-Experiment
| Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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Sample preparation
| Crystal | Density Matthews: 2.83 Å3/Da / Density % sol: 56.57 % |
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| Crystal grow | Temperature: 289 K / Method: vapor diffusion, hanging drop / pH: 8.5 Details: 0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent cations, 30% PEG550MME/PEG20000 |
-Data collection
| Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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| Diffraction source | Source: SYNCHROTRON / Site: Diamond / Beamline: I04 / Wavelength: 0.953731 Å |
| Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Apr 8, 2024 |
| Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
| Radiation wavelength | Wavelength: 0.953731 Å / Relative weight: 1 |
| Reflection | Resolution: 2.3→74.6 Å / Num. obs: 67085 / % possible obs: 98.6 % / Redundancy: 3.6 % / CC1/2: 0.987 / Rpim(I) all: 0.1 / Net I/σ(I): 5.4 |
| Reflection shell | Resolution: 2.3→2.35 Å / Num. unique obs: 4510 / CC1/2: 0.412 / Rpim(I) all: 0.784 |
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Processing
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| Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.3→74.595 Å / Cor.coef. Fo:Fc: 0.961 / Cor.coef. Fo:Fc free: 0.932 / WRfactor Rfree: 0.208 / WRfactor Rwork: 0.163 / SU B: 18.326 / SU ML: 0.197 / Average fsc free: 0.9586 / Average fsc work: 0.9706 / Cross valid method: FREE R-VALUE / ESU R: 0.285 / ESU R Free: 0.212 Details: Hydrogens have been added in their riding positions
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| Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK BULK SOLVENT | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Displacement parameters | Biso mean: 39.947 Å2
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| Refinement step | Cycle: LAST / Resolution: 2.3→74.595 Å
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| Refine LS restraints |
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| Refine LS restraints NCS |
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| LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20
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| Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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| Refinement TLS group |
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About Yorodumi



Homo sapiens (human)
X-RAY DIFFRACTION
United Kingdom, 1items
Citation







PDBj






