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- PDB-3hcd: Crystal Structure of hPNMT in Complex With Noradrenaline and AdoHcy -
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Open data
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Basic information
Entry | Database: PDB / ID: 3hcd | ||||||
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Title | Crystal Structure of hPNMT in Complex With Noradrenaline and AdoHcy | ||||||
![]() | Phenylethanolamine N-methyltransferase![]() | ||||||
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Function / homology | ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Drinkwater, N. / Martin, J.L. | ||||||
![]() | ![]() Title: Molecular recognition of physiological substrate noradrenaline by the adrenaline-synthesizing enzyme PNMT and factors influencing its methyltransferase activity. Authors: Drinkwater, N. / Gee, C.L. / Puri, M. / Criscione, K.R. / McLeish, M.J. / Grunewald, G.L. / Martin, J.L. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 230.6 KB | Display | ![]() |
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PDB format | ![]() | 186.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 3hcaC ![]() 3hcbC ![]() 3hccC ![]() 3hceC ![]() 3hcfC ![]() 1hnnS S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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2 | ![]()
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Unit cell |
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Components
#1: Protein | ![]() Mass: 31845.967 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() References: UniProt: P11086, ![]() #2: Chemical | ![]() #3: Chemical | ![]() #4: Water | ChemComp-HOH / | ![]() |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.22 Å3/Da / Density % sol: 61.84 % |
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Crystal grow![]() | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 5.8 Details: PEG6K, LiCl, cacodylate, pH 5.8, vapor diffusion, hanging drop, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MAR CCD 165 mm / Detector: CCD / Date: Aug 15, 2008 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.392→50 Å / Num. obs: 33670 / Redundancy: 14.1 % / Biso Wilson estimate: 44.62 Å2 / Rmerge(I) obs: 0.069 / Net I/σ(I): 14.8 |
Reflection shell | Resolution: 2.392→2.49 Å / Redundancy: 14.3 % / Rmerge(I) obs: 0.785 / Mean I/σ(I) obs: 3.7 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 1HNN Resolution: 2.392→34.78 Å / Occupancy max: 2 / Occupancy min: 0 / FOM work R set: 0.841 / SU ML: 0.33 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0.06 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 50.302 Å2 / ksol: 0.325 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 116.54 Å2 / Biso mean: 51.303 Å2 / Biso min: 23.12 Å2
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Refinement step | Cycle: LAST / Resolution: 2.392→34.78 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 13
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Refinement TLS params. | Method: refined / Origin x: 24.2359 Å / Origin y: 51.3005 Å / Origin z: -5.2891 Å
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Refinement TLS group |
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