Magnesium in PDB 6yay: Crystal Structure of A Selenium-Derivatized Complex of the Bacterial Cellulose Secretion Regulators Bcsr and Bcsq, Crystallized in the Presence of Adp

The structure of Crystal Structure of A Selenium-Derivatized Complex of the Bacterial Cellulose Secretion Regulators Bcsr and Bcsq, Crystallized in the Presence of Adp, PDB code: 6yay was solved by W.Abidi, M.Caleechurn, 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)	46.64 / 2.09
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.06, 78.78, 66.6, 90, 99.28, 90
R / Rfree (%)	19.2 / 22.3

The binding sites of Magnesium atom in the Crystal Structure of A Selenium-Derivatized Complex of the Bacterial Cellulose Secretion Regulators Bcsr and Bcsq, Crystallized in the Presence of Adp (pdb code 6yay). 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 Selenium-Derivatized Complex of the Bacterial Cellulose Secretion Regulators Bcsr and Bcsq, Crystallized in the Presence of Adp, PDB code: 6yay:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of A Selenium-Derivatized Complex of the Bacterial Cellulose Secretion Regulators Bcsr and Bcsq, Crystallized in the Presence of Adp


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 Selenium-Derivatized Complex of the Bacterial Cellulose Secretion Regulators Bcsr and Bcsq, Crystallized in the Presence of Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:48.9 occ:1.00 O A:HOH409 2.0 49.4 1.0 OG1 A:THR16 2.0 64.7 1.0 O2G A:ATP302 2.0 50.7 1.0 O2B A:ATP302 2.2 45.2 1.0 O A:HOH416 2.2 50.3 1.0 O A:HOH408 2.4 51.5 1.0 CB A:THR16 3.2 55.6 1.0 PG A:ATP302 3.3 49.3 1.0 PB A:ATP302 3.4 47.6 1.0 O3B A:ATP302 3.5 50.1 1.0 N A:THR16 3.9 50.4 1.0 OD2 A:ASP124 3.9 54.4 1.0 O3G A:ATP302 4.0 51.6 1.0 O A:HOH405 4.0 52.8 1.0 CA A:THR16 4.1 53.0 1.0 CG2 A:THR16 4.2 53.7 1.0 OD1 A:ASP124 4.3 53.8 1.0 O1B A:ATP302 4.4 44.1 1.0 O1G A:ATP302 4.4 47.2 1.0 O1A A:ATP302 4.4 45.0 1.0 SG A:CYS39 4.4 69.0 1.0 O3A A:ATP302 4.5 45.5 1.0 CG A:ASP124 4.5 55.5 1.0 CB A:THR15 4.8 44.9 1.0 PA A:ATP302 4.9 47.3 1.0 C A:THR15 4.9 48.0 1.0 CD1 A:LEU43 4.9 70.5 1.0 OD2 A:ASP41 5.0 93.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of A Selenium-Derivatized Complex of the Bacterial Cellulose Secretion Regulators Bcsr and Bcsq, Crystallized in the Presence of Adp


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 Selenium-Derivatized Complex of the Bacterial Cellulose Secretion Regulators Bcsr and Bcsq, Crystallized in the Presence of Adp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:43.4 occ:1.00 O2G B:ATP302 1.9 46.9 1.0 O2B B:ATP302 2.0 41.1 1.0 O B:HOH413 2.0 44.6 1.0 O B:HOH424 2.1 41.5 1.0 OG1 B:THR16 2.1 54.7 1.0 O B:HOH425 2.1 48.7 1.0 PG B:ATP302 3.2 45.5 1.0 PB B:ATP302 3.2 42.6 1.0 CB B:THR16 3.3 43.0 1.0 O3B B:ATP302 3.4 48.9 1.0 O B:HOH401 3.8 53.3 1.0 N B:THR16 3.8 39.6 1.0 O3G B:ATP302 3.9 48.1 1.0 O B:HOH408 4.0 51.5 1.0 CA B:THR16 4.1 41.5 1.0 OD2 B:ASP124 4.1 49.9 1.0 O1B B:ATP302 4.1 41.4 1.0 OD1 B:ASP124 4.3 51.9 1.0 O3A B:ATP302 4.3 43.3 1.0 O1G B:ATP302 4.3 46.6 1.0 CG2 B:THR16 4.3 37.4 1.0 O1A B:ATP302 4.4 40.1 1.0 SG B:CYS39 4.6 48.5 1.0 CG B:ASP124 4.7 51.1 1.0 CB B:THR15 4.7 43.5 1.0 PA B:ATP302 4.8 42.1 1.0 C B:THR15 4.8 43.4 1.0 O B:HOH403 5.0 47.1 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