Magnesium in PDB 5cvw: Crystal Structure of Rtx Domain Block V of Adenylate Cyclase Toxin From Bordetella Pertussis

All present enzymatic activity of Crystal Structure of Rtx Domain Block V of Adenylate Cyclase Toxin From Bordetella Pertussis:
4.6.1.1;

The structure of Crystal Structure of Rtx Domain Block V of Adenylate Cyclase Toxin From Bordetella Pertussis, PDB code: 5cvw was solved by L.Motlova, C.Barinka, L.Bumba, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.24 / 1.25
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	62.824, 62.983, 77.627, 90.00, 90.00, 90.00
R / Rfree (%)	13.9 / 16.6

The structure of Crystal Structure of Rtx Domain Block V of Adenylate Cyclase Toxin From Bordetella Pertussis also contains other interesting chemical elements:

Calcium

(Ca)

8 atoms

The binding sites of Magnesium atom in the Crystal Structure of Rtx Domain Block V of Adenylate Cyclase Toxin From Bordetella Pertussis (pdb code 5cvw). 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 Rtx Domain Block V of Adenylate Cyclase Toxin From Bordetella Pertussis, PDB code: 5cvw:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Rtx Domain Block V of Adenylate Cyclase Toxin From Bordetella Pertussis


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 Rtx Domain Block V of Adenylate Cyclase Toxin From Bordetella Pertussis within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1714 b:14.1 occ:0.25 O A:HOH1824 2.0 18.2 1.0 OE2 A:GLU1567 2.2 16.1 0.7 CD A:GLU1567 3.1 16.0 1.0 OE1 A:GLU1567 3.3 12.6 0.7 O A:HOH1891 4.2 45.0 1.0 CG A:GLU1567 4.3 16.4 1.0 O A:HOH1902 4.3 21.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Rtx Domain Block V of Adenylate Cyclase Toxin From Bordetella Pertussis


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 Rtx Domain Block V of Adenylate Cyclase Toxin From Bordetella Pertussis within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1715 b:25.9 occ:1.00 O A:HOH1809 2.0 26.1 1.0 O A:HOH1911 2.1 32.5 1.0 O A:HOH1815 2.1 26.2 1.0 O A:HOH1845 2.1 29.7 1.0 O A:HOH1920 2.2 35.5 1.0 O A:HOH1922 2.2 55.4 1.0 O A:HOH1834 3.7 33.3 1.0 O A:HOH1873 4.0 24.6 1.0 OD2 A:ASP1580 4.2 19.1 1.0 O A:ASN1578 4.4 12.7 1.0 OD2 A:ASP1560 4.5 15.4 1.0 O A:HOH1810 4.8 31.4 1.0 CB A:ASP1560 4.9 12.2 1.0

L.Bumba, J.Masin, P.Macek, T.Wald, L.Motlova, I.Bibova, N.Klimova, L.Bednarova, V.Veverka, M.Kachala, D.I.Svergun, C.Barinka, P.Sebo. Calcium-Driven Folding of Rtx Domain Beta-Rolls Ratchets Translocation of Rtx Proteins Through Type I Secretion Ducts. Mol.Cell V. 62 47 2016.
ISSN: ISSN 1097-2765
PubMed: 27058787
DOI: 10.1016/J.MOLCEL.2016.03.018