Calcium in PDB 4ibx: Crystal Structure of Stabilized Tem-1 Beta-Lactamase Variant V.13

All present enzymatic activity of Crystal Structure of Stabilized Tem-1 Beta-Lactamase Variant V.13:
3.5.2.6;

The structure of Crystal Structure of Stabilized Tem-1 Beta-Lactamase Variant V.13, PDB code: 4ibx was solved by E.Dellus-Gur, A.Toth-Petroczy, M.Elias, D.S.Tawfik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.68 / 2.68
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.900, 239.000, 159.910, 90.00, 90.00, 90.00
R / Rfree (%)	23.2 / 26.5

The binding sites of Calcium atom in the Crystal Structure of Stabilized Tem-1 Beta-Lactamase Variant V.13 (pdb code 4ibx). 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 Stabilized Tem-1 Beta-Lactamase Variant V.13, PDB code: 4ibx:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Stabilized Tem-1 Beta-Lactamase Variant V.13


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 Stabilized Tem-1 Beta-Lactamase Variant V.13 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:47.6 occ:1.00 OE1 B:GLU37 1.8 20.9 1.0 OE1 A:GLU37 1.8 20.5 1.0 O B:HOH420 1.9 19.6 1.0 O B:HOH412 2.0 6.2 1.0 O B:HOH415 2.4 21.6 1.0 O A:HOH425 2.5 29.3 1.0 CD A:GLU37 3.0 17.7 1.0 CD B:GLU37 3.0 17.0 1.0 OD1 A:ASP38 3.4 29.9 1.0 OD1 B:ASP38 3.6 13.6 1.0 OE2 B:GLU37 3.8 13.4 1.0 CG A:GLU37 3.9 15.5 1.0 OE2 A:GLU37 3.9 14.3 1.0 CG B:GLU37 4.0 16.6 1.0 NH2 B:ARG61 4.1 12.6 1.0 CB A:GLU37 4.2 17.4 1.0 NH2 A:ARG61 4.3 18.5 1.0 CB B:GLU37 4.5 17.0 1.0 O A:HOH432 4.5 27.5 1.0 CG A:ASP38 4.5 23.9 1.0 CZ B:PHE60 4.7 15.3 1.0 O B:LYS34 4.7 22.3 1.0 O B:HOH406 4.7 9.2 1.0 CG B:ASP38 4.8 18.6 1.0 O A:LYS34 4.8 21.9 1.0 CZ A:PHE60 4.8 14.3 1.0 OD2 A:ASP38 5.0 21.6 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Stabilized Tem-1 Beta-Lactamase Variant V.13


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 Stabilized Tem-1 Beta-Lactamase Variant V.13 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca301 b:66.6 occ:1.00 OE1 C:GLU37 1.8 38.2 1.0 O C:HOH407 2.5 31.1 1.0 CD C:GLU37 3.0 35.5 1.0 OD1 C:ASP38 3.4 48.8 1.0 OE2 C:GLU37 3.7 31.9 1.0 CG C:GLU37 4.1 36.7 1.0 CB C:GLU37 4.2 41.6 1.0 NH2 C:ARG61 4.3 19.4 1.0 CG C:ASP38 4.5 47.4 1.0 O C:LYS34 4.8 48.1 1.0 OD2 C:ASP38 4.9 45.6 1.0

E.Dellus-Gur, A.Toth-Petroczy, M.Elias, D.S.Tawfik. What Makes A Protein Fold Amenable to Functional Innovation? Fold Polarity and Stability Trade-Offs. J.Mol.Biol. V. 425 2609 2013.
ISSN: ISSN 0022-2836
PubMed: 23542341
DOI: 10.1016/J.JMB.2013.03.033