Magnesium in PDB 7cci: Acinetobacter Baumannii Response Regulator Ader with Disordered N Terminus

The structure of Acinetobacter Baumannii Response Regulator Ader with Disordered N Terminus, PDB code: 7cci was solved by Y.Wen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.37 / 1.65
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.885, 70.975, 53.25, 90, 107.07, 90
R / Rfree (%)	15.4 / 18.6

The binding sites of Magnesium atom in the Acinetobacter Baumannii Response Regulator Ader with Disordered N Terminus (pdb code 7cci). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Acinetobacter Baumannii Response Regulator Ader with Disordered N Terminus, PDB code: 7cci:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Acinetobacter Baumannii Response Regulator Ader with Disordered N Terminus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Acinetobacter Baumannii Response Regulator Ader with Disordered N Terminus within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:19.4 occ:1.00 O A:HOH334 2.1 28.7 1.0 OE2 A:GLU19 2.1 15.9 1.0 OD2 A:ASP63 2.1 16.2 1.0 O A:HOH431 2.2 28.0 1.0 OD1 A:ASP20 2.2 22.3 1.0 O A:HOH310 2.2 21.4 1.0 CG A:ASP63 3.0 18.1 1.0 CD A:GLU19 3.0 15.9 1.0 OE1 A:GLU19 3.2 17.5 1.0 OD1 A:ASP63 3.2 18.6 1.0 CG A:ASP20 3.4 20.4 1.0 N A:ASP20 4.1 12.2 1.0 OD2 A:ASP20 4.1 33.7 1.0 N A:ASP21 4.2 13.6 1.0 O A:HOH455 4.2 42.3 1.0 CB A:ASP63 4.3 10.9 1.0 O A:HOH412 4.4 38.0 1.0 O A:LYS65 4.4 24.4 1.0 CG A:GLU19 4.4 12.2 1.0 CB A:ASP21 4.4 11.0 1.0 CB A:ASP20 4.5 15.0 1.0 CA A:ASP20 4.7 16.2 1.0 CD1 A:ILE24 4.8 15.4 1.0 C A:ASP20 4.8 13.6 1.0 O A:HOH320 4.9 33.2 1.0 C A:GLU19 4.9 9.8 1.0 CA A:ASP21 5.0 11.3 1.0 CA A:GLU19 5.0 8.9 1.0

Magnesium binding site 2 out of 3 in the Acinetobacter Baumannii Response Regulator Ader with Disordered N Terminus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Acinetobacter Baumannii Response Regulator Ader with Disordered N Terminus within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:11.7 occ:1.00 O A:HOH342 2.0 13.4 1.0 O A:HOH316 2.1 12.1 1.0 O B:HOH439 2.1 17.9 1.0 O B:HOH363 2.1 11.9 1.0 O B:HOH321 2.1 14.9 1.0 O B:PRO113 4.0 15.6 1.0 O B:VAL111 4.2 11.7 1.0 O A:VAL111 4.2 13.4 1.0 O A:HOH333 4.3 29.4 1.0 OE1 A:GLU118 4.3 12.3 1.0 O A:HOH352 4.4 12.7 1.0 O A:HOH360 4.4 8.2 1.0 OE1 B:GLU118 4.4 11.0 1.0 O B:HOH333 4.4 12.6 1.0 O A:PRO113 4.6 11.0 1.0 O B:HOH339 4.9 11.2 1.0

Magnesium binding site 3 out of 3 in the Acinetobacter Baumannii Response Regulator Ader with Disordered N Terminus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Acinetobacter Baumannii Response Regulator Ader with Disordered N Terminus within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg201 b:17.5 occ:1.00 O B:HOH375 2.0 19.4 1.0 OE2 B:GLU19 2.0 14.1 1.0 OD1 B:ASP20 2.1 21.1 1.0 OD2 B:ASP63 2.1 19.2 1.0 O B:HOH342 2.1 20.8 1.0 O B:HOH332 2.1 22.4 1.0 CD B:GLU19 3.1 13.2 1.0 CG B:ASP63 3.1 18.2 1.0 CG B:ASP20 3.3 24.8 1.0 OE1 B:GLU19 3.5 17.3 1.0 OD1 B:ASP63 3.6 19.4 1.0 N B:ASP20 3.9 11.8 1.0 OD2 B:ASP20 3.9 30.1 1.0 N B:ASP21 4.0 12.2 1.0 O B:HOH412 4.1 31.8 1.0 O B:LYS65 4.2 20.4 1.0 CB B:ASP21 4.3 13.8 1.0 CB B:ASP63 4.4 13.6 1.0 CG B:GLU19 4.4 12.2 1.0 CB B:ASP20 4.4 14.9 1.0 CA B:ASP20 4.5 14.7 1.0 O B:HOH312 4.6 25.6 1.0 C B:ASP20 4.7 18.0 1.0 C B:GLU19 4.8 10.7 1.0 CA B:ASP21 4.8 14.7 1.0 CA B:GLU19 4.8 10.4 1.0

Z.Ouyang, F.Zheng, L.Zhu, J.Felix, D.Wu, K.Wu, I.Gutsche, Y.Wu, P.M.Hwang, J.She, Y.Wen. Proteolysis and Multimerization Regulate Signaling Along the Two-Component Regulatory System Aders. Iscience V. 24 02476 2021.
ISSN: ESSN 2589-0042
PubMed: 34113820
DOI: 10.1016/J.ISCI.2021.102476