Magnesium in PDB 2jk8: Type IV Secretion System Effector Protein Bepa Complexed with A Pyrophosphate Moiety

The structure of Type IV Secretion System Effector Protein Bepa Complexed with A Pyrophosphate Moiety, PDB code: 2jk8 was solved by D.V.Palanivelu, T.Schirmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	72.948, 82.877, 126.729, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 27.5

The structure of Type IV Secretion System Effector Protein Bepa Complexed with A Pyrophosphate Moiety also contains other interesting chemical elements:

Nickel	(Ni)	4 atoms
Chlorine	(Cl)	1 atom

The binding sites of Magnesium atom in the Type IV Secretion System Effector Protein Bepa Complexed with A Pyrophosphate Moiety (pdb code 2jk8). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Type IV Secretion System Effector Protein Bepa Complexed with A Pyrophosphate Moiety, PDB code: 2jk8:

Magnesium binding site 1 out of 1 in the Type IV Secretion System Effector Protein Bepa Complexed with A Pyrophosphate Moiety


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Type IV Secretion System Effector Protein Bepa Complexed with A Pyrophosphate Moiety within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg702 b:97.1 occ:1.00 OE2 A:GLU163 2.2 84.0 1.0 O3A A:ATP701 2.2 0.6 1.0 O2G A:ATP701 2.2 99.2 1.0 CD A:GLU163 3.3 78.0 1.0 PG A:ATP701 3.5 0.8 1.0 PB A:ATP701 3.5 1.0 1.0 O3B A:ATP701 3.9 1.0 1.0 OE1 A:GLU163 3.9 80.0 1.0 O1G A:ATP701 4.2 99.1 1.0 O1B A:ATP701 4.3 97.9 1.0 CG A:GLU163 4.4 68.0 1.0 O2B A:ATP701 4.6 0.8 1.0 O3G A:ATP701 4.8 98.6 1.0

D.V.Palanivelu, A.Goepfert, M.Meury, P.Guye, C.Dehio, T.Schirmer. Fic Domain Catalyzed Adenylylation: Insight Provided By the Structural Analysis of the Type IV Secretion System Effector Bepa. Protein Sci. V. 20 492 2011.
ISSN: ISSN 0961-8368
PubMed: 21213248
DOI: 10.1002/PRO.581