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- PDB-5an7: Structure of the engineered retro-aldolase RA95.5-8F with a bound... -
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Open data
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Basic information
Entry | Database: PDB / ID: 5an7 | |||||||||
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Title | Structure of the engineered retro-aldolase RA95.5-8F with a bound 1,3-diketone inhibitor | |||||||||
![]() | RA95.5-8F | |||||||||
![]() | LYASE / RETRO-ALDOLASE / PROTEIN ENGINEERING / ENZYME DESIGN / DIRECTED EVOLUTION | |||||||||
Function / homology | ![]() indole-3-glycerol-phosphate synthase / indole-3-glycerol-phosphate synthase activity / phosphoribosylanthranilate isomerase activity / tryptophan biosynthetic process Similarity search - Function | |||||||||
Biological species | ![]() ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Obexer, R. / Mittl, P.R.E. / Hilvert, D. | |||||||||
![]() | ![]() Title: Emergence of a catalytic tetrad during evolution of a highly active artificial aldolase. Authors: Obexer, R. / Godina, A. / Garrabou, X. / Mittl, P.R. / Baker, D. / Griffiths, A.D. / Hilvert, D. | |||||||||
History |
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Remark 700 | SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW ... SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 8-STRANDED BARREL THIS IS REPRESENTED BY A 9-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 182.9 KB | Display | ![]() |
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PDB format | ![]() | 149.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 462.3 KB | Display | ![]() |
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Full document | ![]() | 471.6 KB | Display | |
Data in XML | ![]() | 16.6 KB | Display | |
Data in CIF | ![]() | 24.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5aouC ![]() 4a2rS C: citing same article ( S: Starting model for refinement |
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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: 29936.434 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: THE SEQUENCE WAS DESIGNED BASED ON INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE NATURALLY FOUND IN SULFOLOBUS SOLFATARICUS Source: (gene. exp.) ![]() ![]() ![]() ![]() | ||||||
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#2: Chemical | #3: Chemical | ChemComp-LLK / ( | #4: Water | ChemComp-HOH / | Nonpolymer details | 1-(6-METHOXYNAP | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.99 Å3/Da / Density % sol: 38.29 % / Description: NONE |
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Crystal grow | Temperature: 293 K / pH: 4.5 Details: 0.1M HEPES, 0.8M SODIUM PHOSPHATE, 0.8M POTASSIUM PHOSPHATE, PH 4.5, 20 DEGREES CELSIUS |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Feb 3, 2015 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9999 Å / Relative weight: 1 |
Reflection | Resolution: 1.1→37.64 Å / Num. obs: 167220 / % possible obs: 89.2 % / Observed criterion σ(I): 0 / Redundancy: 3.07 % / Rmerge(I) obs: 0.06 / Net I/σ(I): 8.65 |
Reflection shell | Resolution: 1.1→1.17 Å / Mean I/σ(I) obs: 0.89 / % possible all: 44.3 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 4A2R Resolution: 1.1→37.6 Å / Cross valid method: THROUGHOUT / σ(F): 0
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Refinement step | Cycle: LAST / Resolution: 1.1→37.6 Å
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Refine LS restraints |
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