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Open data
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Basic information
Entry | Database: PDB / ID: 3psg | |||||||||
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Title | THE HIGH RESOLUTION CRYSTAL STRUCTURE OF PORCINE PEPSINOGEN | |||||||||
![]() | PEPSINOGEN | |||||||||
![]() | HYDROLASE(ACID PROTEINASE ZYMOGEN) | |||||||||
Function / homology | ![]() Surfactant metabolism / pepsin A / digestion / aspartic-type endopeptidase activity / proteolysis / extracellular exosome Similarity search - Function | |||||||||
Biological species | ![]() ![]() | |||||||||
Method | ![]() | |||||||||
![]() | Hartsuck, J.A. / Koelsch, G. / Remington, S.J. | |||||||||
![]() | ![]() Title: The high-resolution crystal structure of porcine pepsinogen. Authors: Hartsuck, J.A. / Koelsch, G. / Remington, S.J. | |||||||||
History |
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Remark 650 | HELIX A NUMBER OF BETA TURNS ARE ALSO LISTED AS 3/10 HELICES, WHERE APPROPRIATE. | |||||||||
Remark 700 | SHEET ONE OF THE SHEETS IN THIS ENTRY (SHEET S2), CONTAINING SIX STRANDS, IS A BETA BARREL ...SHEET ONE OF THE SHEETS IN THIS ENTRY (SHEET S2), CONTAINING SIX STRANDS, IS A BETA BARREL CONTAINING AN EXTENSION COMPRISED OF RESIDUES 65 - 90 WHICH FORMS A SECOND HYDROPHOBIC CORE WITH THE SURFACE OF THE BARREL. THIS IS REPRESENTED IN THIS ENTRY BY A SEVEN-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. ADDITIONALLY, THE THIRD STRAND IS COMPOSED OF THREE NONCONTIGUOUS FRAGMENTS (RESIDUES 16 - 20, 65 - 67, AND 69 - 75). THIS IS REPRESENTED BY DESCRIBING THE SHEET THREE TIMES (SHEETS *S2A*, *S2B*, AND *S2C* BELOW) WITH DIFFERENT THIRD STRANDS. REGISTRATION INFORMATION IS NOT INCLUDED WHEN TWO ADJACENT STRANDS DO NOT INTERACT. |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 83.6 KB | Display | ![]() |
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PDB format | ![]() | 62.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 367 KB | Display | ![]() |
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Full document | ![]() | 378.5 KB | Display | |
Data in XML | ![]() | 9.9 KB | Display | |
Data in CIF | ![]() | 15.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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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Atom site foot note | 1: RESIDUE PRO 23 IS A CIS PROLINE. |
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Components
#1: Protein | Mass: 39551.523 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() |
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#2: Water | ChemComp-HOH / |
Sequence details | PROPEPTIDE RESIDUES HAVE BEEN ASSIGNED INSERTION CODE P AND NUMBERED FROM 1 TO 44. THE REMAINDER OF ...PROPEPTIDE |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.6 Å3/Da / Density % sol: 52.75 % | ||||||||||||||||||||
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Crystal grow | *PLUS Temperature: 4 ℃ / pH: 6.1 / Method: batch method / Details: crystalyzed by either batch or vapor diffusion | ||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Reflection | *PLUS Highest resolution: 1.65 Å / Num. obs: 31236 / Num. measured all: 68120 / Rmerge F obs: 0.082 |
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Reflection shell | *PLUS Highest resolution: 1.65 Å / Lowest resolution: 1.75 Å / % possible obs: 18.4 % |
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Processing
Software | Name: TNT / Classification: refinement | |||||||||||||||
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Refinement | Rfactor obs: 0.17 / Highest resolution: 1.65 Å Details: RESIDUE SER 68 IS PHOSPHORYLATED BUT THE SIDE CHAIN DENSITY IS SO WEAK THAT ONLY CB HAS BEEN INCLUDED. | |||||||||||||||
Refinement step | Cycle: LAST / Highest resolution: 1.65 Å
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Software | *PLUS Name: 'TNT, EREF' / Classification: refinement | |||||||||||||||
Refinement | *PLUS Lowest resolution: 10 Å / Num. reflection obs: 28806 / σ(F): 1.3 / Rfactor obs: 0.173 | |||||||||||||||
Solvent computation | *PLUS | |||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||
Refine LS restraints | *PLUS
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