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Yorodumi- PDB-1lpp: ANALOGS OF REACTION INTERMEDIATES IDENTIFY A UNIQUE SUBSTRATE BIN... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1lpp | |||||||||
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Title | ANALOGS OF REACTION INTERMEDIATES IDENTIFY A UNIQUE SUBSTRATE BINDING SITE IN CANDIDA RUGOSA LIPASE | |||||||||
Components | LIPASE | |||||||||
Keywords | HYDROLASE | |||||||||
Function / homology | Function and homology information triacylglycerol lipase / triacylglycerol lipase activity / lipid catabolic process Similarity search - Function | |||||||||
Biological species | Candida rugosa (fungus) | |||||||||
Method | X-RAY DIFFRACTION / Resolution: 2.18 Å | |||||||||
Authors | Grochulski, P.G. / Cygler, M.C. | |||||||||
Citation | Journal: Biochemistry / Year: 1994 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: Journal: Protein Sci. / Year: 1994 Title: Two Conformational States of Candida Rugosa Lipase Authors: Grochulski, P. / Li, Y. / Schrag, J.D. / Cygler, M. #2: Journal: J.Am.Chem.Soc. / Year: 1994 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: Journal: J.Biol.Chem. / Year: 1993 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: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1lpp.cif.gz | 118.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1lpp.ent.gz | 93.4 KB | Display | PDB format |
PDBx/mmJSON format | 1lpp.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1lpp_validation.pdf.gz | 1 MB | Display | wwPDB validaton report |
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Full document | 1lpp_full_validation.pdf.gz | 1 MB | Display | |
Data in XML | 1lpp_validation.xml.gz | 23.2 KB | Display | |
Data in CIF | 1lpp_validation.cif.gz | 34.4 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/lp/1lpp ftp://data.pdbj.org/pub/pdb/validation_reports/lp/1lpp | HTTPS FTP |
-Related structure data
-Links
-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.) Candida rugosa (fungus) / References: UniProt: P20261, triacylglycerol lipase |
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-Sugars , 2 types, 2 molecules
#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, 300 molecules
#4: Chemical | #5: Chemical | #6: Water | ChemComp-HOH / | |
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-Details
Compound details | MOLECULE_NAME: HEXADECANESULFONYL CHLORIDE. AFTER REACTION WITH CRL LIPASE THE MOLECULE FOUND IN ...MOLECULE_NAME: HEXADECANE |
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Nonpolymer details | COMPND INHIBITED BY HEXADECANE |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 2.38 Å3/Da / Density % sol: 48.37 % |
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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: 30889 / % possible obs: 86.7 % / Observed criterion σ(I): 1 |
-Processing
Software |
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Refinement | Resolution: 2.18→8 Å / σ(F): 4 /
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Displacement parameters | Biso mean: 21.2 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.18→8 Å
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Refine LS restraints |
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