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Yorodumi- PDB-1ypb: DIRECT OBSERVATION OF BETTER HYDRATION AT THE N-TERMINUS OF AN AL... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1ypb | ||||||
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Title | DIRECT OBSERVATION OF BETTER HYDRATION AT THE N-TERMINUS OF AN ALPHA-HELIX WITH GLYCINE RATHER THAN ALANINE AS N-CAP | ||||||
Components | CHYMOTRYPSIN INHIBITOR 2 | ||||||
Keywords | PROTEINASE INHIBITOR(CHYMOTRYPSIN) | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Hordeum vulgare (barley) | ||||||
Method | X-RAY DIFFRACTION / Resolution: 2 Å | ||||||
Authors | Harpaz, Y. / Elmasry, N. / Fersht, A.R. / Henrick, K. | ||||||
Citation | Journal: Proc.Natl.Acad.Sci.USA / Year: 1994 Title: Direct observation of better hydration at the N terminus of an alpha-helix with glycine rather than alanine as the N-cap residue. Authors: Harpaz, Y. / Elmasry, N. / Fersht, A.R. / Henrick, K. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1ypb.cif.gz | 23.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1ypb.ent.gz | 14.8 KB | Display | PDB format |
PDBx/mmJSON format | 1ypb.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1ypb_validation.pdf.gz | 353.4 KB | Display | wwPDB validaton report |
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Full document | 1ypb_full_validation.pdf.gz | 353.3 KB | Display | |
Data in XML | 1ypb_validation.xml.gz | 2.4 KB | Display | |
Data in CIF | 1ypb_validation.cif.gz | 3.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/yp/1ypb ftp://data.pdbj.org/pub/pdb/validation_reports/yp/1ypb | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 7167.525 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Hordeum vulgare (barley) / References: UniProt: P01053 |
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#2: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 1.92 Å3/Da / Density % sol: 35.78 % |
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Crystal grow | *PLUS Method: vapor diffusion, hanging drop |
-Data collection
Reflection | *PLUS Highest resolution: 2 Å / Lowest resolution: 14.5 Å / Num. obs: 3752 / % possible obs: 94.9 % / Num. measured all: 14613 / Rmerge(I) obs: 0.078 |
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Reflection shell | *PLUS % possible obs: 98.5 % / Rmerge(I) obs: 0.082 |
-Processing
Software | Name: PROLSQ / Classification: refinement | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Refinement | Rfactor obs: 0.174 / Highest resolution: 2 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Highest resolution: 2 Å
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Refine LS restraints |
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Software | *PLUS Name: PROLSQ / Classification: refinement | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Highest resolution: 2 Å / Rfactor obs: 0.174 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS Biso mean: 10.3 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS Type: p_angle_d / Dev ideal: 0.033 |