Magnesium in PDB 6yb5: Orthorhombic Crystal Structure of A Native Bcsrq Complex Crystallized in the Presence of Adp

The structure of Orthorhombic Crystal Structure of A Native Bcsrq Complex Crystallized in the Presence of Adp, PDB code: 6yb5 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)	45.23 / 1.59
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.11, 73.16, 140.47, 90, 90, 90
R / Rfree (%)	16 / 18.4

The binding sites of Magnesium atom in the Orthorhombic Crystal Structure of A Native Bcsrq Complex Crystallized in the Presence of Adp (pdb code 6yb5). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Orthorhombic Crystal Structure of A Native Bcsrq Complex Crystallized in the Presence of Adp, PDB code: 6yb5:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Orthorhombic Crystal Structure of A Native Bcsrq Complex 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 Orthorhombic Crystal Structure of A Native Bcsrq Complex Crystallized in the Presence of Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:20.3 occ:1.00 OG1 A:THR16 2.0 19.7 1.0 O3G A:ATP302 2.0 23.0 1.0 O2B A:ATP302 2.0 17.4 1.0 O A:HOH491 2.1 21.9 1.0 O A:HOH504 2.1 21.3 1.0 O A:HOH415 2.2 25.3 1.0 CB A:THR16 3.1 19.2 1.0 PG A:ATP302 3.2 21.8 1.0 PB A:ATP302 3.2 18.6 1.0 O3B A:ATP302 3.4 20.1 1.0 O A:HOH428 3.7 42.1 1.0 N A:THR16 3.9 15.8 1.0 O1G A:ATP302 3.9 23.9 1.0 CA A:THR16 4.1 17.2 1.0 OD2 A:ASP124 4.1 22.9 1.0 CG2 A:THR16 4.2 19.7 1.0 O A:HOH482 4.2 25.6 1.0 O1B A:ATP302 4.2 18.8 1.0 O1A A:ATP302 4.3 21.1 1.0 O3A A:ATP302 4.3 20.7 1.0 OD1 A:ASP124 4.3 27.3 1.0 O2G A:ATP302 4.4 22.4 1.0 OD1 A:ASP41 4.4 52.5 1.0 O A:HOH544 4.4 35.6 1.0 CG A:ASP124 4.7 22.2 1.0 SG A:CYS39 4.7 20.0 0.8 PA A:ATP302 4.7 19.5 1.0 CD1 A:LEU43 4.8 29.6 1.0 CB A:THR15 4.8 18.7 1.0 SG A:CYS39 4.9 25.3 0.2 C A:THR15 4.9 20.4 1.0 O2A A:ATP302 5.0 20.2 1.0

Magnesium binding site 2 out of 2 in the Orthorhombic Crystal Structure of A Native Bcsrq Complex 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 Orthorhombic Crystal Structure of A Native Bcsrq Complex Crystallized in the Presence of Adp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:20.3 occ:1.00 OG1 B:THR16 2.0 19.3 1.0 O B:HOH509 2.0 23.2 1.0 O3G B:ATP302 2.0 21.2 1.0 O2B B:ATP302 2.0 18.8 1.0 O B:HOH464 2.2 23.6 1.0 O B:HOH526 2.2 23.3 1.0 CB B:THR16 3.1 19.8 1.0 PB B:ATP302 3.2 18.6 1.0 PG B:ATP302 3.2 21.1 1.0 O3B B:ATP302 3.4 18.6 1.0 O2G B:ATP302 3.8 25.2 1.0 N B:THR16 3.8 17.1 1.0 O B:HOH460 3.8 40.4 1.0 OD2 B:ASP124 4.0 24.3 1.0 CA B:THR16 4.0 16.9 1.0 O B:HOH495 4.1 27.9 1.0 CG2 B:THR16 4.2 19.6 1.0 OD1 B:ASP124 4.2 25.0 1.0 O1B B:ATP302 4.3 18.9 1.0 O B:HOH551 4.3 47.5 1.0 O3A B:ATP302 4.3 19.5 1.0 O1A B:ATP302 4.4 20.0 1.0 O1G B:ATP302 4.4 24.0 1.0 SG B:CYS39 4.6 21.7 0.9 CG B:ASP124 4.6 24.6 1.0 PA B:ATP302 4.8 18.9 1.0 CB B:THR15 4.8 17.1 1.0 SG B:CYS39 4.8 24.2 0.1 C B:THR15 4.9 17.3 1.0 CD1 B:LEU43 5.0 33.1 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