Magnesium in PDB 6yb3: Crystal Structure of A Native Bcsrq Complex Purified and Crystallized in the Absence of Nucleotide

The structure of Crystal Structure of A Native Bcsrq Complex Purified and Crystallized in the Absence of Nucleotide, PDB code: 6yb3 was solved by M.Caleechurn, W.Abidi, S.Zouhir, S.Roche, P.V.Krasteva, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.67 / 1.59
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57, 78.99, 66.82, 90, 99.26, 90
R / Rfree (%)	18.5 / 20.9

The binding sites of Magnesium atom in the Crystal Structure of A Native Bcsrq Complex Purified and Crystallized in the Absence of Nucleotide (pdb code 6yb3). 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 A Native Bcsrq Complex Purified and Crystallized in the Absence of Nucleotide, PDB code: 6yb3:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of A Native Bcsrq Complex Purified and Crystallized in the Absence of Nucleotide


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 A Native Bcsrq Complex Purified and Crystallized in the Absence of Nucleotide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:30.9 occ:1.00 O2B A:ATP302 2.0 28.3 1.0 O3G A:ATP302 2.0 29.8 1.0 OG1 A:THR16 2.0 30.5 1.0 O A:HOH448 2.1 30.5 1.0 O A:HOH408 2.1 35.0 1.0 O A:HOH455 2.1 32.2 1.0 CB A:THR16 3.1 25.4 1.0 PG A:ATP302 3.2 29.1 1.0 PB A:ATP302 3.2 27.4 1.0 O3B A:ATP302 3.3 27.8 1.0 N A:THR16 3.8 26.5 1.0 O A:HOH401 3.9 37.4 1.0 O1G A:ATP302 4.0 34.5 1.0 CA A:THR16 4.1 27.1 1.0 OD2 A:ASP124 4.1 33.1 1.0 O A:HOH446 4.2 33.0 1.0 CG2 A:THR16 4.2 27.4 1.0 O1B A:ATP302 4.2 27.1 1.0 O A:HOH457 4.3 47.1 1.0 OD1 A:ASP124 4.3 36.9 1.0 O3A A:ATP302 4.3 31.2 1.0 O1A A:ATP302 4.3 30.2 1.0 O2G A:ATP302 4.3 31.8 1.0 OD2 A:ASP41 4.4 43.7 0.6 CG A:ASP124 4.6 32.9 1.0 SG A:CYS39 4.7 35.3 1.0 PA A:ATP302 4.7 28.1 1.0 CB A:THR15 4.8 24.6 1.0 CD1 A:LEU43 4.9 42.1 1.0 C A:THR15 4.9 28.5 1.0 O2A A:ATP302 4.9 29.2 1.0 ND2 B:ASN152 5.0 30.7 1.0 O A:HOH421 5.0 33.0 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of A Native Bcsrq Complex Purified and Crystallized in the Absence of Nucleotide


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 A Native Bcsrq Complex Purified and Crystallized in the Absence of Nucleotide within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:26.1 occ:1.00 O1G B:ATP302 2.0 26.5 1.0 O B:HOH458 2.0 28.7 1.0 OG1 B:THR16 2.0 25.5 1.0 O2B B:ATP302 2.1 28.3 1.0 O B:HOH461 2.1 28.0 1.0 O B:HOH418 2.1 28.7 1.0 CB B:THR16 3.2 25.8 1.0 PG B:ATP302 3.2 27.3 1.0 PB B:ATP302 3.2 26.0 1.0 O3B B:ATP302 3.4 24.5 1.0 O B:HOH402 3.8 35.1 1.0 N B:THR16 3.9 24.0 1.0 O3G B:ATP302 3.9 34.0 1.0 CA B:THR16 4.1 24.0 1.0 O B:HOH440 4.1 30.6 1.0 OD2 B:ASP124 4.2 26.8 1.0 CG2 B:THR16 4.2 26.3 1.0 O1B B:ATP302 4.2 25.6 1.0 OD1 B:ASP124 4.3 30.6 1.0 O1A B:ATP302 4.3 26.8 1.0 O3A B:ATP302 4.4 26.4 1.0 OD2 B:ASP41 4.4 33.9 0.4 O2G B:ATP302 4.4 31.6 1.0 O B:HOH505 4.4 44.9 1.0 SG B:CYS39 4.6 29.5 1.0 CG B:ASP124 4.7 28.1 1.0 PA B:ATP302 4.7 26.1 1.0 CB B:THR15 4.8 26.4 1.0 CD1 B:LEU43 4.8 27.4 0.7 C B:THR15 4.9 26.1 1.0

W.Abidi, S.Zouhir, M.Caleechurn, S.Roche, P.V.Krasteva. Architecture and Regulation of An Enterobacterial Cellulose Secretion System. Sci Adv V. 7 2021.
ISSN: ESSN 2375-2548
PubMed: 33563593
DOI: 10.1126/SCIADV.ABD8049