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

The structure of Crystal Structure of A Selenium-Derivatized Complex of the Bacterial Cellulose Secretion Regulators Bcsr and Bcsq, Crystallized in the Presence of Appcp, PDB code: 6yar 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)	45.16 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.12, 78.43, 65.22, 90, 97.41, 90
R / Rfree (%)	17.8 / 21.8

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 Appcp (pdb code 6yar). 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 Appcp, PDB code: 6yar:
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 Appcp


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 Appcp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:35.2 occ:1.00 O A:HOH433 2.0 35.1 1.0 O3G A:ATP302 2.1 39.2 1.0 O A:HOH416 2.1 37.4 1.0 OG1 A:THR16 2.1 45.0 1.0 O2B A:ATP302 2.2 34.0 1.0 O A:HOH411 2.3 33.9 1.0 CB A:THR16 3.2 39.7 1.0 PG A:ATP302 3.2 37.8 1.0 O3B A:ATP302 3.4 36.5 1.0 PB A:ATP302 3.4 34.8 1.0 O A:HOH409 3.8 46.5 1.0 O2G A:ATP302 3.8 41.4 1.0 N A:THR16 3.9 34.8 1.0 O A:HOH408 3.9 43.5 1.0 OD2 A:ASP124 4.1 34.6 1.0 CA A:THR16 4.1 34.7 1.0 OD1 A:ASP124 4.2 37.1 1.0 CG2 A:THR16 4.2 37.6 1.0 O1A A:ATP302 4.2 36.9 1.0 O1B A:ATP302 4.3 35.8 1.0 O1G A:ATP302 4.4 36.9 1.0 O3A A:ATP302 4.4 33.9 1.0 CG A:ASP124 4.6 37.6 1.0 SG A:CYS39 4.6 43.1 1.0 CD1 A:LEU43 4.7 41.2 1.0 PA A:ATP302 4.8 35.2 1.0 CB A:THR15 4.9 36.4 1.0 C A:THR15 5.0 35.3 1.0 ND2 B:ASN152 5.0 37.2 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 Appcp


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 Appcp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:32.3 occ:1.00 O B:HOH447 2.0 33.2 1.0 O3G B:ATP302 2.0 33.3 1.0 OG1 B:THR16 2.0 38.7 1.0 O2B B:ATP302 2.1 32.3 1.0 O B:HOH418 2.1 33.5 1.0 O B:HOH438 2.2 33.2 1.0 CB B:THR16 3.1 35.6 1.0 PG B:ATP302 3.2 34.6 1.0 PB B:ATP302 3.3 32.1 1.0 O3B B:ATP302 3.3 34.4 1.0 O2G B:ATP302 3.8 36.7 1.0 O B:HOH406 3.8 42.2 1.0 N B:THR16 3.9 28.0 1.0 O B:HOH420 4.0 38.4 1.0 CA B:THR16 4.1 32.4 1.0 OD2 B:ASP124 4.1 30.2 1.0 O1A B:ATP302 4.2 32.2 1.0 CG2 B:THR16 4.2 33.1 1.0 OD1 B:ASP124 4.3 39.1 1.0 O1B B:ATP302 4.3 30.9 1.0 O3A B:ATP302 4.3 30.9 1.0 O1G B:ATP302 4.4 33.0 1.0 PA B:ATP302 4.7 32.5 1.0 CG B:ASP124 4.7 37.4 1.0 SG B:CYS39 4.8 35.6 1.0 CD1 B:LEU43 4.8 34.5 1.0 CB B:THR15 4.9 29.7 1.0 ND2 A:ASN152 4.9 31.6 1.0 C B:THR15 5.0 31.4 1.0 O B:HOH415 5.0 38.6 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