3MU1

Comparison of the character and the speed of X-ray-induced structural changes of porcine pancreatic elastase at two temperatures, 100 and 15K. The data set was collected from region A of the crystal. Fifth step of radiation damage

Summary for 3MU1

• Entry DOI: 10.2210/pdb3mu1/pdb
• Related: 1GVK 3MT4 3MU0 3MU4 3MU5 3MU8
• Descriptor: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION, ... (4 entities in total)
• Functional Keywords: radiation damage, disulfide bridge, atomic resolution, hydrolase
• Biological source: Sus scrofa (pigs,swine,wild boar)
• Cellular location: Secreted: P00772
• Total number of polymer chains: 1
• Total formula weight: 26143.15

Authors

Petrova, T.,Ginell, S.,Mitschler, A.,Cousido-Siah, A.,Hazemann, I.,Podjarny, A.,Joachimiak, A. (deposition date: 2010-05-01, release date: 2010-05-12, Last modification date: 2023-09-06)

Primary citation

Petrova, T.,Ginell, S.,Mitschler, A.,Kim, Y.,Lunin, V.Y.,Joachimiak, G.,Cousido-Siah, A.,Hazemann, I.,Podjarny, A.,Lazarski, K.,Joachimiak, A.
X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66:1075-1091, 2010

PubMed Abstract: Overall and site-specific X-ray-induced damage to porcine pancreatic elastase was studied at atomic resolution at temperatures of 100 and 15 K. The experiments confirmed that irradiation causes small movements of protein domains and bound water molecules in protein crystals. These structural changes occur not only at 100 K but also at temperatures as low as 15 K. An investigation of the deterioration of disulfide bridges demonstrated the following. (i) A decrease in the occupancy of S(γ) atoms and the appearance of new cysteine rotamers occur simultaneously. (ii) The occupancy decrease is observed for all S(γ) atoms, while new rotamers arise for some of the cysteine residues; the appearance of new conformations correlates with the accessibility to solvent. (iii) The sum of the occupancies of the initial and new conformations of a cysteine residue is approximately equal to the occupancy of the second cysteine residue in the bridge. (iv) The most pronounced changes occur at doses below 1.4 × 10(7) Gy, with only small changes occurring at higher doses. Comparison of the radiation-induced changes in an elastase crystal at 100 and 15 K suggested that the dose needed to induce a similar level of deterioration of the disulfide bonds and atomic displacements at 15 K to those seen at 100 K is more than two times higher.

PubMed: 20944241
DOI: 10.1107/S0907444910033986

Experimental method

X-RAY DIFFRACTION (1.74 Å)