Magnesium in PDB 6ybb: Crystal Structure of A Native Bcse (217-523) - Bcsr-Bcsq (R156E Mutant) Complex with C-Di-Gmp and Atp Bound

The structure of Crystal Structure of A Native Bcse (217-523) - Bcsr-Bcsq (R156E Mutant) Complex with C-Di-Gmp and Atp Bound, PDB code: 6ybb was solved by 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)	48.54 / 2.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.43, 169.59, 177.6, 90, 90, 90
R / Rfree (%)	20 / 22.9

The binding sites of Magnesium atom in the Crystal Structure of A Native Bcse (217-523) - Bcsr-Bcsq (R156E Mutant) Complex with C-Di-Gmp and Atp Bound (pdb code 6ybb). 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 Bcse (217-523) - Bcsr-Bcsq (R156E Mutant) Complex with C-Di-Gmp and Atp Bound, PDB code: 6ybb:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of A Native Bcse (217-523) - Bcsr-Bcsq (R156E Mutant) Complex with C-Di-Gmp and Atp Bound


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 Bcse (217-523) - Bcsr-Bcsq (R156E Mutant) Complex with C-Di-Gmp and Atp Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:69.4 occ:1.00 O A:HOH402 2.0 85.6 1.0 OG1 A:THR16 2.1 114.1 1.0 O2B A:ATP302 2.4 108.5 1.0 O A:HOH401 2.6 87.9 1.0 O3G A:ATP302 2.6 114.3 1.0 O1A A:ATP302 2.9 95.3 1.0 CB A:THR16 3.0 94.6 1.0 O1G A:ATP302 3.1 101.2 1.0 PG A:ATP302 3.1 103.6 1.0 O3B A:ATP302 3.4 104.1 1.0 PB A:ATP302 3.4 100.5 1.0 CD1 A:LEU43 3.9 94.2 1.0 CG2 A:THR16 4.0 87.8 1.0 N A:THR16 4.0 82.5 1.0 PA A:ATP302 4.0 88.5 1.0 O3A A:ATP302 4.0 95.0 1.0 CA A:THR16 4.1 88.7 1.0 OG1 A:THR15 4.1 96.5 1.0 ND2 B:ASN152 4.5 106.1 1.0 CB A:LEU43 4.5 91.0 1.0 OD2 A:ASP124 4.6 107.2 1.0 O2G A:ATP302 4.6 105.5 1.0 O1B A:ATP302 4.7 123.2 1.0 CG A:LEU43 4.8 93.4 1.0 O2A A:ATP302 4.8 81.0 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of A Native Bcse (217-523) - Bcsr-Bcsq (R156E Mutant) Complex with C-Di-Gmp and Atp Bound


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 Bcse (217-523) - Bcsr-Bcsq (R156E Mutant) Complex with C-Di-Gmp and Atp Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:77.3 occ:1.00 OG1 B:THR16 2.1 127.8 1.0 O B:HOH401 2.1 88.7 1.0 O2B B:ATP302 2.2 87.9 1.0 O B:HOH402 2.6 94.3 1.0 O3G B:ATP302 2.7 112.3 1.0 O2G B:ATP302 3.2 104.8 1.0 CB B:THR16 3.2 106.8 1.0 PG B:ATP302 3.4 102.8 1.0 PB B:ATP302 3.4 88.0 1.0 O3B B:ATP302 3.5 111.4 1.0 O1A B:ATP302 3.9 76.8 1.0 CD1 B:LEU43 4.0 98.3 1.0 CG2 B:THR16 4.2 95.6 1.0 N B:THR16 4.2 101.4 1.0 CA B:THR16 4.3 100.8 1.0 OD2 B:ASP124 4.3 106.0 1.0 O3A B:ATP302 4.3 72.2 1.0 ND2 A:ASN152 4.5 112.4 1.0 CB B:LEU43 4.5 94.8 1.0 O1B B:ATP302 4.5 97.5 1.0 OD2 B:ASP41 4.5 124.7 1.0 PA B:ATP302 4.5 76.0 1.0 O1G B:ATP302 4.8 98.5 1.0 CG B:LEU43 4.8 96.3 1.0 O2A B:ATP302 5.0 75.9 1.0 SG B:CYS39 5.0 101.3 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