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- PDB-1lpn: ANALOGS OF REACTION INTERMEDIATES IDENTIFY A UNIQUE SUBSTRATE BIN... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1lpn | |||||||||
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Title | ANALOGS OF REACTION INTERMEDIATES IDENTIFY A UNIQUE SUBSTRATE BINDING SITE IN CANDIDA RUGOSA LIPASE | |||||||||
![]() | LIPASE | |||||||||
![]() | HYDROLASE / CARBOXYLIC ESTERASE / CRL | |||||||||
Function / homology | ![]() triacylglycerol lipase / triacylglycerol lipase activity / lipid catabolic process Similarity search - Function | |||||||||
Biological species | ![]() | |||||||||
Method | ![]() | |||||||||
![]() | Grochulski, P.G. / Cygler, M.C. | |||||||||
![]() | ![]() Title: Analogs of reaction intermediates identify a unique substrate binding site in Candida rugosa lipase. Authors: Grochulski, P. / Bouthillier, F. / Kazlauskas, R.J. / Serreqi, A.N. / Schrag, J.D. / Ziomek, E. / Cygler, M. #1: ![]() Title: Two Conformational States of Candida Rugosa Lipase Authors: Grochulski, P. / Li, Y. / Schrag, J.D. / Cygler, M. #2: ![]() Title: A Structural Basis for the Chiral Preferences of Lipases Authors: Cygler, M. / Grochulski, P. / Kazlauskas, R.J. / Schrag, J.D. / Bouthillier, F. / Rubin, B. / Serregi, A.N. / Gupta, A.K. #3: ![]() Title: Insights Into Interfacial Activation from an Open Structure of Candida Rugosa Lipase Authors: Grochulski, P. / Li, Y. / Schrag, J.D. / Bouthillier, F. / Smith, P. / Harrison, D. / Rubin, B. / Cygler, M. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 113.7 KB | Display | ![]() |
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PDB format | ![]() | 89.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 787 KB | Display | ![]() |
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Full document | ![]() | 792.3 KB | Display | |
Data in XML | ![]() | 21.3 KB | Display | |
Data in CIF | ![]() | 30.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related 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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Unit cell |
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Atom site foot note | 1: CIS PROLINE - PRO 390 | ||||||||
Components on special symmetry positions |
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Components
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 58588.625 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() |
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-Sugars , 2 types, 2 molecules ![](data/chem/img/NAG.gif)
#2: Polysaccharide | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose Source method: isolated from a genetically manipulated source |
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#3: Sugar | ChemComp-NAG / |
-Non-polymers , 3 types, 119 molecules ![](data/chem/img/CA.gif)
![](data/chem/img/DSC.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/DSC.gif)
![](data/chem/img/HOH.gif)
#4: Chemical | #5: Chemical | #6: Water | ChemComp-HOH / | |
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-Details
Compound details | MOLECULE_NAME: DODECANESULFONYL CHLORIDE. AFTER REACTION WITH CRL LIPASE THE MOLECULE FOUND IN THE ...MOLECULE_NAME: DODECANESU |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.38 Å3/Da / Density % sol: 48.35 % |
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Crystal | *PLUS Density % sol: 48 % |
Crystal grow | *PLUS pH: 5.4 / Method: vapor diffusion, hanging drop |
-Data collection
Radiation | Scattering type: x-ray |
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Radiation wavelength | Relative weight: 1 |
Reflection | Num. obs: 22925 / % possible obs: 77.4 % / Observed criterion σ(I): 2 |
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Processing
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Refinement | Resolution: 2.18→8 Å / σ(F): 4 /
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Displacement parameters | Biso mean: 18.6 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.18→8 Å
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Refine LS restraints |
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