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Yorodumi- PDB-1whs: STRUCTURE OF THE COMPLEX OF L-BENZYLSUCCINATE WITH WHEAT SERINE C... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1whs | |||||||||
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Title | STRUCTURE OF THE COMPLEX OF L-BENZYLSUCCINATE WITH WHEAT SERINE CARBOXYPEPTIDASE II AT 2.0 ANGSTROMS RESOLUTION | |||||||||
Components | (SERINE CARBOXYPEPTIDASE ...) x 2 | |||||||||
Keywords | SERINE CARBOXYPEPTIDASE | |||||||||
Function / homology | Function and homology information carboxypeptidase D / serine-type carboxypeptidase activity / proteolysis Similarity search - Function | |||||||||
Biological species | Triticum aestivum (bread wheat) | |||||||||
Method | X-RAY DIFFRACTION / Resolution: 2 Å | |||||||||
Authors | Bullock, T.L. / Remington, S.J. | |||||||||
Citation | Journal: Biochemistry / Year: 1994 Title: Structure of the complex of L-benzylsuccinate with wheat serine carboxypeptidase II at 2.0-A resolution. Authors: Bullock, T.L. / Branchaud, B. / Remington, S.J. #1: Journal: J.Biol.Chem. / Year: 1990 Title: Structure of Wheat Serine Carboxypeptidase II at 3.5 Angstroms Resolution Authors: Liao, D.-I. / Remington, S.J. #2: Journal: J.Mol.Biol. / Year: 1990 Title: Crystallization of Serine Carboxypeptidases Authors: Wilson, K.P. / Liao, D.-I. / Bullock, T. / Remington, S.J. / Breddam, K. #3: Journal: Carlsberg Res.Commun. / Year: 1987 Title: Primary Structure and Enzymatic Properties of Carboxypeptidase II from Wheat Bran Authors: Breddam, K. / Sorensen, S.B. / Svendsen, I. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1whs.cif.gz | 101.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1whs.ent.gz | 79.7 KB | Display | PDB format |
PDBx/mmJSON format | 1whs.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1whs_validation.pdf.gz | 563.8 KB | Display | wwPDB validaton report |
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Full document | 1whs_full_validation.pdf.gz | 586.2 KB | Display | |
Data in XML | 1whs_validation.xml.gz | 14 KB | Display | |
Data in CIF | 1whs_validation.cif.gz | 21.9 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/wh/1whs ftp://data.pdbj.org/pub/pdb/validation_reports/wh/1whs | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Atom site foot note | 1: CIS PROLINE - PRO A 43 / 2: CIS PROLINE - PRO A 54 / 3: CIS PROLINE - PRO A 96 |
-Components
-SERINE CARBOXYPEPTIDASE ... , 2 types, 2 molecules AB
#1: Protein | Mass: 28435.553 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Triticum aestivum (bread wheat) / References: UniProt: P08819, EC: 3.4.16.1 |
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#2: Protein | Mass: 17320.504 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Triticum aestivum (bread wheat) / References: UniProt: P08819, EC: 3.4.16.1 |
-Sugars , 3 types, 3 molecules
#3: Polysaccharide | alpha-L-fucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]2-acetamido-2-deoxy-beta- ...alpha-L-fucopyranose-(1-3)-[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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#4: 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 |
#5: Sugar | ChemComp-NAG / |
-Non-polymers , 3 types, 386 molecules
#6: Chemical | ChemComp-GOL / | ||
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#7: Chemical | #8: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 5.21 Å3/Da / Density % sol: 76.41 % | ||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | *PLUS pH: 4 / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Reflection | *PLUS Highest resolution: 2.3 Å / Num. obs: 29338 / % possible obs: 72 % / Num. measured all: 52849 / Rmerge(I) obs: 0.048 |
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-Processing
Software | Name: TNT / Classification: refinement | ||||||||||||||||||||||||||||||
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Refinement | Resolution: 2→20 Å /
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Refinement step | Cycle: LAST / Resolution: 2→20 Å
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Refine LS restraints |
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Software | *PLUS Name: TNT / Classification: refinement | ||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor obs: 0.175 / Highest resolution: 2.3 Å | ||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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