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Yorodumi- PDB-4xn7: Crystal Structure of E. coli Aminopeptidase N in complex with L-2... -
+Open data
-Basic information
Entry | Database: PDB / ID: 4xn7 | ||||||
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Title | Crystal Structure of E. coli Aminopeptidase N in complex with L-2,3-Diaminopropionic acid | ||||||
Components | Aminopeptidase NAlanine aminopeptidase | ||||||
Keywords | HYDROLASE | ||||||
Function / homology | Function and homology information membrane alanyl aminopeptidase / aminopeptidase activity / metallopeptidase activity / proteolysis / zinc ion binding / identical protein binding / plasma membrane Similarity search - Function | ||||||
Biological species | Escherichia coli K-12 (bacteria) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.22 Å | ||||||
Authors | Addlagatta, A. / Gumpena, R. | ||||||
Citation | Journal: To Be Published Title: Crystal Structure of E. coli Aminopeptidase N in complex with L-2,3-Diaminopropionic acid Authors: Addlagatta, A. / Gumpena, R. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4xn7.cif.gz | 205.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4xn7.ent.gz | 160 KB | Display | PDB format |
PDBx/mmJSON format | 4xn7.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/xn/4xn7 ftp://data.pdbj.org/pub/pdb/validation_reports/xn/4xn7 | HTTPS FTP |
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-Related structure data
Related structure data | 2hpoS 4xms S: Starting model for refinement |
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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: 98540.078 Da / Num. of mol.: 1 / Fragment: UNP residues 5-870 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli K-12 (bacteria) / Strain: K12 / Gene: pepN, b0932, JW0915 / Plasmid: pET15b / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: P04825, membrane alanyl aminopeptidase |
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-Non-polymers , 6 types, 542 molecules
#2: Chemical | ChemComp-ZN / | ||||||
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#3: Chemical | ChemComp-DPP / | ||||||
#4: Chemical | ChemComp-NA / #5: Chemical | ChemComp-GOL / #6: Chemical | #7: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 3.62 Å3/Da / Density % sol: 66.01 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 7 / Details: Sodium malonate |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU MICROMAX-007 HF / Wavelength: 1.54179 Å |
Detector | Type: RIGAKU RAXIS IV++ / Detector: IMAGE PLATE / Date: Mar 2, 2014 |
Radiation | Monochromator: Cu / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54179 Å / Relative weight: 1 |
Reflection | Resolution: 2.22→49.25 Å / Num. obs: 70135 / % possible obs: 99.5 % / Redundancy: 5 % / Rsym value: 0.18 / Net I/σ(I): 5.31 |
Reflection shell | Resolution: 2.22→2.35 Å / Redundancy: 4.8 % / Mean I/σ(I) obs: 2.78 / % possible all: 99 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 2HPO Resolution: 2.22→49.25 Å / Cor.coef. Fo:Fc: 0.931 / Cor.coef. Fo:Fc free: 0.895 / SU B: 8.516 / SU ML: 0.187 / Cross valid method: THROUGHOUT / ESU R: 0.21 / ESU R Free: 0.19 / 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: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 21.283 Å2
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Refinement step | Cycle: LAST / Resolution: 2.22→49.25 Å
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Refine LS restraints |
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