Magnesium in PDB 3lwn: Shigella IPGB2 in Complex with Human Rhoa, Gdp and MG2+ (Complex B)

The structure of Shigella IPGB2 in Complex with Human Rhoa, Gdp and MG2+ (Complex B), PDB code: 3lwn was solved by B.U.Klink, S.Barden, T.V.Heidler, C.Borchers, M.Ladwein, T.E.B.Stradal, K.Rottner, D.W.Heinz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.13 / 2.28
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	75.530, 95.700, 102.960, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 29.1

The binding sites of Magnesium atom in the Shigella IPGB2 in Complex with Human Rhoa, Gdp and MG2+ (Complex B) (pdb code 3lwn). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Shigella IPGB2 in Complex with Human Rhoa, Gdp and MG2+ (Complex B), PDB code: 3lwn:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Shigella IPGB2 in Complex with Human Rhoa, Gdp and MG2+ (Complex B)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Shigella IPGB2 in Complex with Human Rhoa, Gdp and MG2+ (Complex B) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:33.6 occ:1.00 O A:HOH200 1.9 11.2 1.0 O A:HOH269 2.0 21.8 1.0 O A:HOH261 2.0 16.9 1.0 O A:HOH268 2.0 28.9 1.0 O1A A:GDP201 2.3 13.9 1.0 O A:HOH232 2.6 5.0 1.0 PA A:GDP201 3.7 15.8 1.0 O A:HOH352 4.0 18.3 1.0 O3A A:GDP201 4.1 18.1 1.0 C5' A:GDP201 4.1 17.6 1.0 O1B A:GDP201 4.2 18.0 1.0 O A:HOH213 4.3 8.0 1.0 O5' A:GDP201 4.4 17.2 1.0 O2B A:GDP201 4.5 16.5 1.0 O3' A:GDP201 4.5 28.6 1.0 PB A:GDP201 4.5 15.7 1.0 O2A A:GDP201 4.7 14.5 1.0 CG2 A:VAL35 4.8 18.8 1.0 C3' A:GDP201 4.8 21.4 1.0 O A:PRO36 4.9 15.2 1.0 C4' A:GDP201 4.9 18.8 1.0

Magnesium binding site 2 out of 2 in the Shigella IPGB2 in Complex with Human Rhoa, Gdp and MG2+ (Complex B)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Shigella IPGB2 in Complex with Human Rhoa, Gdp and MG2+ (Complex B) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:28.6 occ:1.00 O B:HOH182 2.0 17.0 1.0 O B:HOH256 2.1 5.8 1.0 O B:HOH257 2.1 15.9 1.0 O1A B:GDP201 2.2 19.2 1.0 O B:HOH228 2.3 8.4 1.0 O B:HOH207 2.4 2.0 1.0 PA B:GDP201 3.6 15.8 1.0 O B:HOH254 3.8 2.0 1.0 O2B B:GDP201 4.0 20.9 1.0 O1B B:GDP201 4.0 20.7 1.0 O3A B:GDP201 4.0 18.7 1.0 PB B:GDP201 4.2 21.7 1.0 C5' B:GDP201 4.3 14.3 1.0 O5' B:GDP201 4.4 19.2 1.0 O B:PRO36 4.5 11.3 1.0 O3' B:GDP201 4.5 16.7 1.0 CG2 B:VAL35 4.6 14.6 1.0 O2A B:GDP201 4.6 18.1 1.0 O B:HOH220 4.8 11.1 1.0 O G:HOH328 4.9 14.4 1.0 CB B:THR19 4.9 12.0 1.0 OG1 B:THR19 4.9 10.9 1.0 C3' B:GDP201 5.0 16.9 1.0

B.U.Klink, S.Barden, T.V.Heidler, C.Borchers, M.Ladwein, T.E.B.Stradal, K.Rottner, D.W.Heinz. Structure of Shigella IPGB2 in Complex with Human Rhoa: Implications For the Mechanism of Bacterial Gef-Mimicry J.Biol.Chem. V. 285 17197 2010.
ISSN: ISSN 0021-9258
PubMed: 20363740
DOI: 10.1074/JBC.M110.107953