Calcium in PDB 8b2q: Matrix-Metallopeptidase Inhibitor Potempin A (Pota) From Tannerella Forsythia in Complex with T. Forsythia Karilysin.

The structure of Matrix-Metallopeptidase Inhibitor Potempin A (Pota) From Tannerella Forsythia in Complex with T. Forsythia Karilysin., PDB code: 8b2q was solved by J.Potempa, M.Ksiazek, T.Goulas, A.Cuppari, A.Rodriguez-Banqueri, J.L.Arolas, M.Lopez-Pelegrin, I.Garcia-Ferrer, T.Guevara, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.07 / 1.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.24, 62.94, 108.68, 90, 90, 90
R / Rfree (%)	15.4 / 17.1

The structure of Matrix-Metallopeptidase Inhibitor Potempin A (Pota) From Tannerella Forsythia in Complex with T. Forsythia Karilysin. also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Calcium atom in the Matrix-Metallopeptidase Inhibitor Potempin A (Pota) From Tannerella Forsythia in Complex with T. Forsythia Karilysin. (pdb code 8b2q). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Matrix-Metallopeptidase Inhibitor Potempin A (Pota) From Tannerella Forsythia in Complex with T. Forsythia Karilysin., PDB code: 8b2q:

Calcium binding site 1 out of 1 in the Matrix-Metallopeptidase Inhibitor Potempin A (Pota) From Tannerella Forsythia in Complex with T. Forsythia Karilysin.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Matrix-Metallopeptidase Inhibitor Potempin A (Pota) From Tannerella Forsythia in Complex with T. Forsythia Karilysin. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:14.6 occ:0.98 OD2 A:ASP135 2.3 14.9 1.0 OE1 A:GLU138 2.3 19.9 1.0 OD1 A:ASP109 2.3 16.5 1.0 O A:THR112 2.3 17.1 0.6 O A:GLY110 2.4 19.8 1.0 O A:ILE114 2.4 12.9 1.0 O A:THR112 2.4 24.6 0.4 H A:THR112 2.8 21.9 0.6 CG A:ASP135 3.4 15.9 1.0 CG A:ASP109 3.5 18.2 1.0 CD A:GLU138 3.5 20.5 1.0 H A:ASP109 3.6 16.7 1.0 C A:THR112 3.6 22.7 0.6 C A:ILE114 3.6 14.7 1.0 C A:THR112 3.6 26.3 0.4 C A:GLY110 3.6 22.2 1.0 HG2 A:GLU138 3.7 19.8 1.0 HD12 A:ILE114 3.7 21.9 1.0 N A:THR112 3.8 22.4 0.6 H A:ILE114 3.8 15.1 1.0 N A:ILE114 3.9 15.1 1.0 HB3 A:ASP135 4.0 13.9 1.0 HA A:ASN111 4.1 19.3 0.6 N A:GLY110 4.1 18.2 1.0 HA A:LEU115 4.1 11.2 1.0 OD2 A:ASP109 4.1 19.1 1.0 CG A:GLU138 4.2 18.8 1.0 C A:GLY113 4.2 20.7 1.0 N A:THR112 4.2 24.8 0.4 CB A:ASP135 4.2 13.2 1.0 C A:ASP109 4.2 21.2 1.0 HB2 A:ASP135 4.2 14.3 1.0 C A:ASN111 4.2 27.4 0.4 H A:GLY110 4.3 20.1 1.0 OD1 A:ASP135 4.3 14.7 1.0 HA A:ASN111 4.3 21.2 0.4 CA A:ILE114 4.4 14.1 1.0 HD23 A:LEU115 4.4 15.2 1.0 CA A:THR112 4.4 21.8 0.6 HB3 A:PHE108 4.4 14.8 1.0 H A:THR112 4.4 24.9 0.4 HA3 A:GLY113 4.4 18.8 1.0 HG3 A:GLU138 4.4 19.1 1.0 CA A:GLY110 4.4 19.6 1.0 N A:ASP109 4.4 16.7 1.0 O A:HOH515 4.5 31.9 1.0 O A:ASN111 4.5 28.9 0.4 N A:GLY113 4.5 21.6 1.0 CA A:THR112 4.5 24.6 0.4 OE2 A:GLU138 4.5 21.5 1.0 N A:ASN111 4.5 21.5 0.4 N A:ASN111 4.6 20.3 0.6 CA A:GLY113 4.6 20.3 1.0 CB A:ASP109 4.6 18.1 1.0 O A:GLY113 4.6 20.0 1.0 N A:LEU115 4.6 12.0 1.0 CA A:ASP109 4.6 17.1 1.0 O A:ASP109 4.6 21.5 1.0 CA A:ASN111 4.6 22.0 0.4 CA A:ASN111 4.7 20.1 0.6 CD1 A:ILE114 4.7 22.5 1.0 C A:ASN111 4.7 25.1 0.6 HB2 A:ASP137 4.8 18.2 1.0 CA A:LEU115 4.8 12.4 1.0 HG22 A:THR112 4.9 26.3 0.6 HG23 A:THR112 4.9 26.0 0.6 HD13 A:ILE114 4.9 21.5 1.0

M.Ksiazek, T.Goulas, D.Mizgalska, A.Rodriguez-Banqueri, U.Eckhard, F.Veillard, I.Waligorska, M.Benedyk-Machaczka, A.M.Sochaj-Gregorczyk, M.Madej, I.B.Thogersen, J.J.Enghild, A.Cuppari, J.L.Arolas, I.De Diego, M.Lopez-Pelegrin, I.Garcia-Ferrer, T.Guevara, V.Dive, M.L.Zani, T.Moreau, J.Potempa, F.X.Gomis-Ruth. A Unique Network of Attack, Defence and Competence on the Outer Membrane of the Periodontitis Pathogen Tannerella Forsythia Chem Sci 2023.
ISSN: ESSN 2041-6539