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- PDB-2h47: Crystal Structure of an Electron Transfer Complex Between Aromati... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2h47 | ||||||
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Title | Crystal Structure of an Electron Transfer Complex Between Aromatic Amine Dephydrogenase and Azurin from Alcaligenes Faecalis (Form 1) | ||||||
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![]() | OXIDOREDUCTASE/electron transport / Quinoprotein / tryptophan tryptophylquinone / cupredoxin / electron transfer / OXIDOREDUCTASE-electron transport COMPLEX | ||||||
Function / homology | ![]() aralkylamine dehydrogenase (azurin) / aralkylamine dehydrogenase (azurin) activity / aliphatic amine dehydrogenase activity / amine metabolic process / periplasmic space / electron transfer activity / copper ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Sukumar, N. / Chen, Z. / Leys, D. / Scrutton, N.S. / Ferrati, D. / Merli, A. / Rossi, G.L. / Bellamy, H.D. / Chistoserdov, A. / Davidson, V.L. / Mathews, F.S. | ||||||
![]() | ![]() Title: Crystal Structure of an Electron Transfer Complex between Aromatic Amine Dehydrogenase and Azurin from Alcaligenes faecalis. Authors: Sukumar, N. / Chen, Z. / Ferrari, D. / Merli, A. / Rossi, G.L. / Bellamy, H.D. / Chistoserdov, A. / Davidson, V.L. / Mathews, F.S. #1: ![]() Title: Atomic Description of an Enzyme Reaction Dominated by Proton Tunneling Authors: Masgrau, L. / Roujeinikova, A. / Johannissen, L.O. / Hothi, P. / Basran, J. / Ranaghan, K.E. / Mulholland, A.J. / Sutcliffe, M.J. / Scrutton, N.S. / Leys, D. | ||||||
History |
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Remark 999 | SEQUENCE THE SEQUENCE OF AROMATIC AMINE DEHYDROGENASE (CHAINS A,D,F,H,B,E,G,I) ARE NOT AVAILABLE AT ...SEQUENCE THE SEQUENCE OF AROMATIC AMINE DEHYDROGENASE (CHAINS A,D,F,H,B,E,G,I) ARE NOT AVAILABLE AT UNP SEQUENCE DATABASE AT THE TIME OF PROCESSING. | ||||||
Remark 300 | BIOMOLECULE: 1,2,3,4 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 9 ...BIOMOLECULE: 1,2,3,4 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 9 CHAIN(S). AUTHOR STATES THAT THE ASYMMETRIC UNIT CONTAINS ONE ALPHA-BETA-GAMMA HETEROTRIMER WHICH IS HALF THE BIOLOGICAL UNIT FOR A BINARY COMPLEX AND AND THREE ALPHA-BETA HETERODIMERS, TWO OF WHICH FORM UNCOMPLEXED HETEROTETRAMER AND THE THIRD ASSOCIATES WITH THE HETEROTRIMER COMPLEX. |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 418.7 KB | Display | ![]() |
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PDB format | ![]() | 339.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 512.9 KB | Display | ![]() |
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Full document | ![]() | 576 KB | Display | |
Data in XML | ![]() | 86.2 KB | Display | |
Data in CIF | ![]() | 119.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2h3xC ![]() 2iaaC ![]() 2ah1S ![]() 2h3y 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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1 | ![]()
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2 | ![]()
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3 | ![]()
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4 | ![]()
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5 | ![]()
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6 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 42978.754 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Source: (natural) ![]() #2: Protein | Mass: 14516.898 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Source: (natural) ![]() #3: Protein | | Mass: 13711.415 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) ![]() #4: Chemical | ChemComp-CU / | #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.37 Å3/Da / Density % sol: 48.01 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, sitting drop / pH: 8.5 Details: 23-28% PEG 4000, 0.1M Tris and 0.2M sodium acetate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Date: Mar 26, 2001 |
Radiation | Monochromator: GRAPHITE / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.6→40 Å / Num. all: 72744 / Num. obs: 50339 / % possible obs: 69.2 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 3.4 % / Biso Wilson estimate: 35.2 Å2 / Rmerge(I) obs: 0.058 / Net I/σ(I): 17.8 |
Reflection shell | Resolution: 2.6→2.69 Å / Redundancy: 3.5 % / Rmerge(I) obs: 0.118 / Mean I/σ(I) obs: 5.9 / Num. unique all: 2818 / % possible all: 39.2 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 2AH1 Resolution: 2.6→34.01 Å / Rfactor Rfree error: 0.003 / Data cutoff high absF: 605127.55 / Data cutoff low absF: 0 / Isotropic thermal model: Isotropic / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 29.2491 Å2 / ksol: 0.343646 e/Å3 | |||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 28.1 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.6→34.01 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: 6
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