Calcium in PDB 1jtg: Crystal Structure of Tem-1 Beta-Lactamase / Beta-Lactamase Inhibitor Protein Complex

All present enzymatic activity of Crystal Structure of Tem-1 Beta-Lactamase / Beta-Lactamase Inhibitor Protein Complex:
3.5.2.6;

The structure of Crystal Structure of Tem-1 Beta-Lactamase / Beta-Lactamase Inhibitor Protein Complex, PDB code: 1jtg was solved by N.C.J.Strynadka, S.E.Jensen, P.M.Alzari, M.N.James, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.96 / 1.73
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.800, 126.300, 158.300, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 20.5

The binding sites of Calcium atom in the Crystal Structure of Tem-1 Beta-Lactamase / Beta-Lactamase Inhibitor Protein Complex (pdb code 1jtg). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Tem-1 Beta-Lactamase / Beta-Lactamase Inhibitor Protein Complex, PDB code: 1jtg:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Tem-1 Beta-Lactamase / Beta-Lactamase Inhibitor Protein Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Tem-1 Beta-Lactamase / Beta-Lactamase Inhibitor Protein Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca645 b:24.2 occ:1.00 O B:HOH751 2.0 25.4 1.0 OD2 B:ASP135 2.2 32.5 1.0 O B:ARG144 2.3 23.6 1.0 O B:HOH763 2.4 37.3 1.0 O B:HOH750 2.4 26.4 1.0 OD2 B:ASP133 2.4 22.2 1.0 OD1 B:ASP133 2.6 23.2 1.0 CG B:ASP133 2.8 18.2 1.0 CG B:ASP135 3.4 28.7 1.0 C B:ARG144 3.5 25.9 1.0 OD1 B:ASP135 3.9 42.3 1.0 CA B:GLY145 4.1 17.8 1.0 N B:GLY136 4.1 25.1 1.0 N B:GLY145 4.3 22.3 1.0 CB B:ASP133 4.3 17.2 1.0 CA B:GLY136 4.4 23.3 1.0 C B:ASP135 4.4 29.6 1.0 CB B:ARG144 4.5 27.4 1.0 N B:ASP135 4.5 22.8 1.0 CA B:ARG144 4.6 24.6 1.0 CB B:ASP135 4.7 29.8 1.0 O B:ASP163 4.8 26.1 1.0 O B:HOH673 4.8 27.5 1.0 CA B:ASP135 4.8 24.0 1.0 O B:ASP135 4.8 28.4 1.0 O B:HOH717 4.9 37.7 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Tem-1 Beta-Lactamase / Beta-Lactamase Inhibitor Protein Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Tem-1 Beta-Lactamase / Beta-Lactamase Inhibitor Protein Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca702 b:23.3 occ:1.00 O D:HOH797 1.9 25.3 1.0 OD1 D:ASP135 2.1 30.9 1.0 OD2 D:ASP133 2.3 19.7 1.0 O D:HOH795 2.3 24.4 1.0 O D:ARG144 2.3 23.0 1.0 O D:HOH796 2.5 38.5 1.0 OD1 D:ASP133 2.6 25.8 1.0 CG D:ASP133 2.8 18.4 1.0 CG D:ASP135 3.3 33.9 1.0 C D:ARG144 3.5 23.8 1.0 OD2 D:ASP135 3.7 38.1 1.0 N D:GLY136 4.1 24.3 1.0 CA D:GLY145 4.1 18.9 1.0 CB D:ASP133 4.2 18.9 1.0 N D:GLY145 4.3 18.0 1.0 C D:ASP135 4.3 28.1 1.0 CA D:GLY136 4.4 23.6 1.0 N D:ASP135 4.4 24.6 1.0 CB D:ARG144 4.4 28.3 1.0 CB D:ASP135 4.6 29.8 1.0 O D:HOH735 4.6 29.3 1.0 CA D:ARG144 4.6 21.4 1.0 CA D:ASP135 4.7 26.8 1.0 O D:HOH771 4.7 40.8 1.0 O D:ASP135 4.8 27.1 1.0 O D:ASP163 4.8 23.2 1.0

D.Lim, H.U.Park, L.De Castro, S.G.Kang, H.S.Lee, S.Jensen, K.J.Lee, N.C.Strynadka. Crystal Structure and Kinetic Analysis of Beta-Lactamase Inhibitor Protein-II in Complex with Tem-1 Beta-Lactamase. Nat.Struct.Biol. V. 8 848 2001.
ISSN: ISSN 1072-8368
PubMed: 11573088
DOI: 10.1038/NSB1001-848