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- PDB-4ai7: Crystal structure of Laccase from Thermus thermophilus HB27 compl... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4ai7 | ||||||
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Title | Crystal structure of Laccase from Thermus thermophilus HB27 complexed with Hg, crystal of the apoenzyme soaked for 2 h in 5 mM HgCl2 at 278 K. | ||||||
![]() | LACCASE-LIKE PROTEIN | ||||||
![]() | OXIDOREDUCTASE / MULTICOPPER OXIDASE | ||||||
Function / homology | ![]() hydroquinone:oxygen oxidoreductase activity / laccase / ferroxidase activity / outer membrane-bounded periplasmic space / oxidoreductase activity / copper ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Serrano-Posada, H. / Rudino-Pinera, E. | ||||||
![]() | ![]() Title: X-Ray-Induced Catalytic Active-Site Reduction of a Multicopper Oxidase: Structural Insights Into the Proton-Relay Mechanism and O2-Reduction States. Authors: Serrano-Posada, H. / Centeno-Leija, S. / Rojas-Trejo, S.P. / Rodriguez-Almazan, C. / Stojanoff, V. / Rudino-Pinera, E. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 125.5 KB | Display | ![]() |
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PDB format | ![]() | 97 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 2xu9SC ![]() 2xuwC ![]() 2xvbC ![]() 2yaeC ![]() 2yafC ![]() 2yahC ![]() 2yamC ![]() 2yaoC ![]() 2yapC ![]() 2yaqC ![]() 2yarC 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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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 48791.457 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: THE PRESENCE OF AN ISOLEUCINE AT THE POSITION 53 IS STRONGLY SUPPORTED BY THE ELECTRON DENSITY Source: (gene. exp.) ![]() ![]() ![]() ![]() | ||||||
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#2: Chemical | ChemComp-HG / #3: Chemical | ChemComp-MPD / ( #4: Water | ChemComp-HOH / | Sequence details | THE SEQUENCE AT THE UNIPROT DEPOSIT Q4H436 POSITION 53 IS OCCUPIED BY A LEUCINE BUT THE ELECTRON ...THE SEQUENCE AT THE UNIPROT DEPOSIT Q4H436 POSITION 53 IS OCCUPIED BY A LEUCINE BUT THE ELECTRON DENSITY CLEARLY SUPPORT THE PRESENCE OF AN ISOLEUCINE | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.59 Å3/Da / Density % sol: 52.47 % / Description: NONE |
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Crystal grow | pH: 7.5 Details: 0.1 M HEPES PH 7.5, 70 % MPD BEFORE DATA COLLECTION THE CRYSTAL WAS SOAKED FOR 2 HOURS IN 5 MM HGCL2 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 210 / Detector: CCD / Date: Apr 2, 2011 Details: DOUBLE CRYSTAL CHANNEL CUT, SI(111), 1M LONG RH COATED TOROIDAL MIRROR FOR VERTICAL AND HORIZONTAL FOCUSING. |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9795 Å / Relative weight: 1 |
Reflection | Resolution: 1.7→28 Å / Num. obs: 53278 / % possible obs: 97.9 % / Observed criterion σ(I): 0 / Redundancy: 4.6 % / Biso Wilson estimate: 14.14 Å2 / Rmerge(I) obs: 0.06 / Net I/σ(I): 18.4 |
Reflection shell | Resolution: 1.7→1.8 Å / Redundancy: 4.7 % / Rmerge(I) obs: 0.28 / Mean I/σ(I) obs: 5.1 / % possible all: 97.5 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 2XU9 Resolution: 1.7→28.572 Å / SU ML: 0.17 / σ(F): 1.36 / Phase error: 15.14 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.73 Å / VDW probe radii: 1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 65.367 Å2 / ksol: 0.391 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 18.2 Å2
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Refinement step | Cycle: LAST / Resolution: 1.7→28.572 Å
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Refine LS restraints |
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LS refinement shell |
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