Calcium in PDB 4e55: Crystal Structure of Spacer Removed Cephalosporin Acylase Mutant

All present enzymatic activity of Crystal Structure of Spacer Removed Cephalosporin Acylase Mutant:
3.5.1.93;

The structure of Crystal Structure of Spacer Removed Cephalosporin Acylase Mutant, PDB code: 4e55 was solved by J.Yin, Z.Zhang, G.Wu, X.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.30
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	74.238, 74.238, 383.860, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 19.9

The binding sites of Calcium atom in the Crystal Structure of Spacer Removed Cephalosporin Acylase Mutant (pdb code 4e55). 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 Spacer Removed Cephalosporin Acylase Mutant, PDB code: 4e55:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Spacer Removed Cephalosporin Acylase Mutant


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 Spacer Removed Cephalosporin Acylase Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca701 b:32.8 occ:1.00 O A:HOH984 2.3 40.7 1.0 O A:HOH1232 2.5 35.0 1.0 O A:HOH950 2.5 29.0 1.0 O A:HOH1077 2.6 30.8 1.0 OD2 A:ASP123 2.6 29.5 1.0 OD1 A:ASP123 2.6 29.0 1.0 CG A:ASP123 3.0 28.9 1.0 OD1 A:ASN120 4.4 28.4 1.0 OH A:TYR116 4.4 28.6 1.0 CB A:ASP123 4.5 28.3 1.0 OD1 A:ASP122 4.6 30.0 1.0 OD2 A:ASP122 4.6 30.2 1.0 O A:HOH1172 4.6 33.2 1.0 CG A:ASP122 4.9 30.3 1.0 CG A:ASN120 5.0 27.9 1.0 CB A:ASN120 5.0 27.9 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Spacer Removed Cephalosporin Acylase Mutant


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 Spacer Removed Cephalosporin Acylase Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca701 b:30.6 occ:1.00 O B:HOH886 2.4 30.4 1.0 O B:HOH835 2.4 28.1 1.0 O B:HOH973 2.5 26.2 1.0 O A:HOH969 2.5 32.0 1.0 O A:HOH833 2.5 29.8 1.0 OD1 B:ASP123 2.6 29.4 1.0 OD2 B:ASP123 2.6 29.1 1.0 CG B:ASP123 2.9 29.0 1.0 NE2 A:GLN93 4.2 33.6 1.0 OD1 B:ASN120 4.3 29.0 1.0 O A:HOH1163 4.3 26.4 1.0 OH B:TYR116 4.4 27.7 1.0 OD2 B:ASP122 4.4 30.9 1.0 CB B:ASP123 4.4 28.3 1.0 O B:HOH1152 4.5 33.7 1.0 OD1 B:ASP122 4.5 30.6 1.0 OE1 A:GLU89 4.7 34.7 1.0 OE1 A:GLN93 4.8 34.1 1.0 CG B:ASP122 4.8 30.9 1.0 CG B:ASN120 4.9 29.1 1.0 CB B:ASN120 4.9 28.9 1.0 CD A:GLN93 5.0 32.3 1.0

J.Yin, Z.Zhang, G.Wu, X.Huang. Spacer Shortened Cephalosporin Acylase To Be Published.