1ppz
From Proteopedia
| Line 4: | Line 4: | ||
|PDB= 1ppz |SIZE=350|CAPTION= <scene name='initialview01'>1ppz</scene>, resolution 1.23Å | |PDB= 1ppz |SIZE=350|CAPTION= <scene name='initialview01'>1ppz</scene>, resolution 1.23Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand=SO4:SULFATE ION'>SO4</scene> | + | |LIGAND= <scene name='pdbligand=MIS:MONOISOPROPYLPHOSPHORYLSERINE'>MIS</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene> |
| - | |ACTIVITY= [http://en.wikipedia.org/wiki/Trypsin Trypsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.4 3.4.21.4] | + | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Trypsin Trypsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.4 3.4.21.4] </span> |
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[1fn8|1FN8]], [[1fy4|1FY4]], [[1fy5|1FY5]], [[1gdq|1GDQ]], [[1gdu|1GDU]], [[1gdn|1GDN]], [[1ppz|1PPZ]], [[1pq5|1PQ5]], [[1pq7|1PQ7]], [[1pq8|1PQ8]], [[1pqa|1PQA]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1ppz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ppz OCA], [http://www.ebi.ac.uk/pdbsum/1ppz PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1ppz RCSB]</span> | ||
}} | }} | ||
| Line 27: | Line 30: | ||
[[Category: Rypniewski, W.]] | [[Category: Rypniewski, W.]] | ||
[[Category: Schmidt, A.]] | [[Category: Schmidt, A.]] | ||
| - | [[Category: SO4]] | ||
[[Category: atomic and ultra-high resolution]] | [[Category: atomic and ultra-high resolution]] | ||
[[Category: complex]] | [[Category: complex]] | ||
| Line 34: | Line 36: | ||
[[Category: trypsin]] | [[Category: trypsin]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 23:03:03 2008'' |
Revision as of 20:03, 30 March 2008
| |||||||
| , resolution 1.23Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , | ||||||
| Activity: | Trypsin, with EC number 3.4.21.4 | ||||||
| Related: | 1FN8, 1FY4, 1FY5, 1GDQ, 1GDU, 1GDN, 1PPZ, 1PQ5, 1PQ7, 1PQ8, 1PQA
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Trypsin complexes at atomic and ultra-high resolution
Overview
A series of crystal structures of trypsin, containing either an autoproteolytic cleaved peptide fragment or a covalently bound inhibitor, were determined at atomic and ultra-high resolution and subjected to ab initio quantum chemical calculations and multipole refinement. Quantum chemical calculations reproduced the observed active site crystal structure with severe deviations from standard stereochemistry and indicated the protonation state of the catalytic residues. Multipole refinement directly revealed the charge distribution in the active site and proved the validity of the ab initio calculations. The combined results confirmed the catalytic function of the active site residues and the two water molecules acting as the nucleophile and the proton donor. The crystal structures represent snapshots from the reaction pathway, close to a tetrahedral intermediate. The de-acylation of trypsin then occurs in true SN2 fashion.
About this Structure
1PPZ is a Single protein structure of sequence from Fusarium oxysporum. Full crystallographic information is available from OCA.
Reference
Trypsin revisited: crystallography AT (SUB) atomic resolution and quantum chemistry revealing details of catalysis., Schmidt A, Jelsch C, Ostergaard P, Rypniewski W, Lamzin VS, J Biol Chem. 2003 Oct 31;278(44):43357-62. Epub 2003 Aug 22. PMID:12937176
Page seeded by OCA on Sun Mar 30 23:03:03 2008
