Calcium in PDB 4opq: Room Temperature Crystal Structure of Stabilized Tem-1 Beta-Lactamase Variant V.13 Carrying R164S/G238S Mutations

The structure of Room Temperature Crystal Structure of Stabilized Tem-1 Beta-Lactamase Variant V.13 Carrying R164S/G238S Mutations, PDB code: 4opq was solved by E.Dellus-Gur, M.Elias, J.S.Fraser, D.S.Tawfik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.15 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	154.900, 47.200, 34.890, 90.00, 92.82, 90.00
R / Rfree (%)	14.9 / 18.9

The binding sites of Calcium atom in the Room Temperature Crystal Structure of Stabilized Tem-1 Beta-Lactamase Variant V.13 Carrying R164S/G238S Mutations (pdb code 4opq). 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 Room Temperature Crystal Structure of Stabilized Tem-1 Beta-Lactamase Variant V.13 Carrying R164S/G238S Mutations, PDB code: 4opq:

Calcium binding site 1 out of 1 in the Room Temperature Crystal Structure of Stabilized Tem-1 Beta-Lactamase Variant V.13 Carrying R164S/G238S Mutations


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Room Temperature Crystal Structure of Stabilized Tem-1 Beta-Lactamase Variant V.13 Carrying R164S/G238S Mutations within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:11.4 occ:0.50 O A:HOH401 2.0 17.2 1.0 OE2 A:GLU36 2.2 14.5 1.0 O A:HOH402 2.4 19.2 1.0 CD A:GLU36 3.3 16.1 1.0 CG A:GLU36 3.8 16.4 1.0 OD1 A:ASP37 3.8 37.3 1.0 O A:HOH458 4.1 32.5 0.5 NH2 A:ARG60 4.2 11.3 1.0 CB A:GLU36 4.3 14.0 1.0 OE1 A:GLU36 4.4 13.3 1.0 O A:LYS33 4.9 22.6 1.0 N A:ASP37 4.9 22.6 1.0 CG A:ASP37 5.0 33.8 1.0 CZ A:PHE59 5.0 13.1 1.0

E.Dellus-Gur, M.Elias, E.Caselli, F.Prati, J.S.Fraser, D.S.Tawfik. Negative Epistasis in Enzyme Evolution the Thin Line Between Conformational Freedom and Anarchy To Be Published.