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- PDB-1hdu: Crystal structure of bovine pancreatic carboxypeptidase A complex... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1hdu | ||||||
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Title | Crystal structure of bovine pancreatic carboxypeptidase A complexed with aminocarbonylphenylalanine at 1.75 A | ||||||
![]() | CARBOXYPEPTIDASE A | ||||||
![]() | CARBOXYPEPTIDASE / CPA / LBHB / INHIBITOR | ||||||
Function / homology | ![]() carboxypeptidase A / leukotriene metabolic process / metallocarboxypeptidase activity / proteolysis / extracellular space / zinc ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Cho, J.H. / Ha, N.-C. / Chung, S.J. / Kim, D.H. / Choi, K.Y. / Oh, B.-H. | ||||||
![]() | ![]() Title: Insight Into the Stereochemistry in the Inhibition of Carboxypeptidase a with N-(Hydroxyaminocarbonyl)Phenylalanine: Binding Modes of an Enantiomeric Pair of the Inhibitor to Carboxypeptidase A Authors: Cho, J.H. / Kim, D.H. / Chung, S.J. / Ha, N.-C. / Oh, B.-H. / Choi, K.Y. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 251.9 KB | Display | ![]() |
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PDB format | ![]() | 213 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
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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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3 | ![]()
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4 | ![]()
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Unit cell |
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Details | BIOLOGICAL_UNIT: MONOMER |
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Components
#1: Protein | Mass: 34442.461 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Source: (natural) ![]() ![]() #2: Chemical | ChemComp-ZN / #3: Chemical | ChemComp-ING / #4: Water | ChemComp-HOH / | Compound details | PEPTIDYL-L-AMINO ACID + H(2)O = PEPTIDE + L-AMINO ACID THE ZYMOGEN IS SECRETED AS A TERNARY COMPLEX ...PEPTIDYL-L-AMINO ACID + H(2)O = PEPTIDE + L-AMINO ACID THE ZYMOGEN IS SECRETED AS A TERNARY COMPLEX COMPOSED OF PROCARBOXY | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.12 Å3/Da / Density % sol: 42.07 % | |||||||||||||||||||||||||||||||||||
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Crystal grow | pH: 7.5 / Details: pH 7.50 | |||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Method: microdialysis | |||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 297 K |
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Diffraction source | Source: ![]() |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.75→20 Å / Num. obs: 89359 / % possible obs: 90.4 % / Observed criterion σ(I): 0 / Redundancy: 1.5 % / Rmerge(I) obs: 0.046 / Rsym value: 0.046 / Net I/σ(I): 15 |
Reflection | *PLUS Lowest resolution: 20 Å |
Reflection shell | *PLUS Highest resolution: 1.9 Å / Lowest resolution: 1.97 Å / % possible obs: 77.4 % / Rmerge(I) obs: 0.149 |
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Processing
Software | Name: CNS / Version: 1 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Refinement | Method to determine structure: ![]()
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Refinement step | Cycle: LAST / Resolution: 1.75→100 Å
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Refine LS restraints |
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Software | *PLUS Version: 1 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Lowest resolution: 100 Å / Rfactor obs: 0.187 / Rfactor Rfree: 0.219 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS Type: c_angle_deg / Dev ideal: 1.235 |