Magnesium in PDB 5hyl: Crystal Structure of DR2231_E47A Mutant in Complex with Dumpnpp and Magnesium

The structure of Crystal Structure of DR2231_E47A Mutant in Complex with Dumpnpp and Magnesium, PDB code: 5hyl was solved by C.S.Mota, A.M.D.Goncalves, D.De Sanctis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.04 / 1.80
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	149.063, 77.822, 52.713, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 20.5

The binding sites of Magnesium atom in the Crystal Structure of DR2231_E47A Mutant in Complex with Dumpnpp and Magnesium (pdb code 5hyl). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of DR2231_E47A Mutant in Complex with Dumpnpp and Magnesium, PDB code: 5hyl:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of DR2231_E47A Mutant in Complex with Dumpnpp and Magnesium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of DR2231_E47A Mutant in Complex with Dumpnpp and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg201 b:44.0 occ:1.00 O1G A:DUP201 1.8 42.5 1.0 O A:HOH388 2.0 35.9 1.0 O C:HOH371 2.2 33.7 1.0 O C:HOH319 2.3 40.3 1.0 O2B A:DUP201 2.4 36.2 1.0 O A:HOH377 2.5 42.0 1.0 PG A:DUP201 3.1 48.1 1.0 PB A:DUP201 3.4 34.7 1.0 O3B A:DUP201 3.6 46.7 1.0 O A:HOH303 3.7 62.1 1.0 N3A A:DUP201 3.9 24.4 1.0 OE2 C:GLU50 3.9 62.0 1.0 O3G A:DUP201 3.9 44.3 1.0 O A:HOH425 4.2 34.2 1.0 O2G A:DUP201 4.2 44.9 1.0 CD C:GLU50 4.3 51.1 1.0 O C:HOH354 4.3 34.8 1.0 CG C:GLU50 4.5 27.2 1.0 OE2 C:GLU79 4.5 32.4 1.0 CE1 D:HIS57 4.6 25.7 0.7 NE2 D:HIS57 4.6 32.1 0.7 O C:HOH345 4.7 43.1 1.0 O1B A:DUP201 4.8 24.1 1.0 O C:HOH337 4.8 34.2 1.0 OE1 C:GLU79 5.0 27.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of DR2231_E47A Mutant in Complex with Dumpnpp and Magnesium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of DR2231_E47A Mutant in Complex with Dumpnpp and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg201 b:66.6 occ:1.00 O3G B:DUP201 1.9 59.7 1.0 O D:HOH319 2.1 33.4 1.0 O1B B:DUP201 2.1 35.8 1.0 O B:HOH309 2.6 38.6 1.0 O B:HOH301 2.6 48.2 1.0 O D:HOH314 2.8 51.9 1.0 PG B:DUP201 2.9 47.0 1.0 O2G B:DUP201 3.1 46.3 1.0 PB B:DUP201 3.3 35.1 1.0 O3B B:DUP201 3.5 40.1 1.0 O D:HOH360 4.2 30.6 1.0 N3A B:DUP201 4.2 27.8 1.0 O B:HOH426 4.2 51.5 1.0 OE1 D:GLU79 4.2 34.6 1.0 O1G B:DUP201 4.2 45.7 1.0 O D:HOH435 4.3 51.2 1.0 OE1 D:GLU50 4.4 41.3 1.0 O2B B:DUP201 4.5 21.2 1.0 CD D:GLU50 4.7 38.2 1.0 O B:HOH324 4.7 41.9 1.0 CG D:GLU50 4.8 18.1 1.0 OE2 D:GLU79 4.9 22.9 1.0 O D:HOH342 4.9 32.8 1.0

C.S.Mota, A.M.Goncalves, D.De Sanctis. Deinococcus Radiodurans DR2231 Is A Two-Metal-Ion Mechanism Hydrolase with Exclusive Activity on Dutp. Febs J. V. 283 4274 2016.
ISSN: ISSN 1742-4658
PubMed: 27739259
DOI: 10.1111/FEBS.13923