2qa9
From Proteopedia
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|PDB= 2qa9 |SIZE=350|CAPTION= <scene name='initialview01'>2qa9</scene>, resolution 1.18Å | |PDB= 2qa9 |SIZE=350|CAPTION= <scene name='initialview01'>2qa9</scene>, resolution 1.18Å | ||
|SITE= <scene name='pdbsite=AC1:Cl+Binding+Site+For+Residue+E+411'>AC1</scene>, <scene name='pdbsite=AC2:So4+Binding+Site+For+Residue+E+421'>AC2</scene>, <scene name='pdbsite=AC3:So4+Binding+Site+For+Residue+E+422'>AC3</scene>, <scene name='pdbsite=AC4:Edo+Binding+Site+For+Residue+E+431'>AC4</scene>, <scene name='pdbsite=AC5:Edo+Binding+Site+For+Residue+E+432'>AC5</scene>, <scene name='pdbsite=AC6:Edo+Binding+Site+For+Residue+E+433'>AC6</scene>, <scene name='pdbsite=AC7:Edo+Binding+Site+For+Residue+E+434'>AC7</scene> and <scene name='pdbsite=AC8:Gol+Binding+Site+For+Residue+E+401'>AC8</scene> | |SITE= <scene name='pdbsite=AC1:Cl+Binding+Site+For+Residue+E+411'>AC1</scene>, <scene name='pdbsite=AC2:So4+Binding+Site+For+Residue+E+421'>AC2</scene>, <scene name='pdbsite=AC3:So4+Binding+Site+For+Residue+E+422'>AC3</scene>, <scene name='pdbsite=AC4:Edo+Binding+Site+For+Residue+E+431'>AC4</scene>, <scene name='pdbsite=AC5:Edo+Binding+Site+For+Residue+E+432'>AC5</scene>, <scene name='pdbsite=AC6:Edo+Binding+Site+For+Residue+E+433'>AC6</scene>, <scene name='pdbsite=AC7:Edo+Binding+Site+For+Residue+E+434'>AC7</scene> and <scene name='pdbsite=AC8:Gol+Binding+Site+For+Residue+E+401'>AC8</scene> | ||
| - | |LIGAND= <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand= | + | |LIGAND= <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene> |
| - | |ACTIVITY= [http://en.wikipedia.org/wiki/Streptogrisin_B Streptogrisin B], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.81 3.4.21.81] | + | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Streptogrisin_B Streptogrisin B], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.81 3.4.21.81] </span> |
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2qa9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2qa9 OCA], [http://www.ebi.ac.uk/pdbsum/2qa9 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2qa9 RCSB]</span> | ||
}} | }} | ||
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[[Category: James, M N.G.]] | [[Category: James, M N.G.]] | ||
[[Category: Lee, T W.]] | [[Category: Lee, T W.]] | ||
| - | [[Category: CL]] | ||
| - | [[Category: EDO]] | ||
| - | [[Category: GOL]] | ||
| - | [[Category: SO4]] | ||
[[Category: alpha helix]] | [[Category: alpha helix]] | ||
[[Category: beta barrel]] | [[Category: beta barrel]] | ||
| Line 36: | Line 35: | ||
[[Category: tetrapeptide]] | [[Category: tetrapeptide]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:46:53 2008'' |
Revision as of 01:46, 31 March 2008
| |||||||
| , resolution 1.18Å | |||||||
|---|---|---|---|---|---|---|---|
| Sites: | , , , , , , and | ||||||
| Ligands: | , , , | ||||||
| Activity: | Streptogrisin B, with EC number 3.4.21.81 | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Crystal structure of the second tetrahedral intermediates of SGPB at pH 4.2
Overview
Streptogrisin B (SGPB) has served as one of the models for studying the catalytic activities of serine peptidases. Here we report its native crystal structures at pH 4.2 at a resolution of 1.18A, and at pH 7.3 at a resolution of 1.23A. Unexpectedly, outstanding electron density peaks occurred in the active site and the substrate-binding region of SGPB in the computed maps at both pHs. The densities at pH 4.2 were assigned as a tetrapeptide, Asp-Ala-Ile-Tyr, whereas those at pH 7.3 were assigned as a tyrosine molecule and a leucine molecule existing at equal occupancies in both of the SGPB molecules in the asymmetric unit. Refinement with relaxed geometric restraints resulted in molecular structures representing mixtures of the second tetrahedral intermediates and the enzyme-product complexes of SGPB existing in a pH-dependent equilibrium. Structural comparisons with the complexes of SGPB with turkey ovomucoid third domain (OMTKY3) and its variants have shown that, upon the formation of the tetrahedral intermediate, residues Glu192A to Gly193 of SGPB move towards the alpha-carboxylate O of residue P1 of the bound species, and adjustments in the side-chain conformational angles of His57 and Ser195 of SGPB favor the progression of the catalytic mechanism of SGPB.
About this Structure
2QA9 is a Single protein structure of sequence from Streptomyces griseus. Full crystallographic information is available from OCA.
Reference
1.2A-resolution crystal structures reveal the second tetrahedral intermediates of streptogrisin B (SGPB)., Lee TW, James MN, Biochim Biophys Acta. 2008 Feb;1784(2):319-34. Epub 2007 Nov 29. PMID:18157955
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