Calcium in PDB 5uxa: Crystal Structure of Macrolide 2'-Phosphotransferase Mphb From Escherichia Coli

The structure of Crystal Structure of Macrolide 2'-Phosphotransferase Mphb From Escherichia Coli, PDB code: 5uxa was solved by P.J.Stogios, E.Evdokimova, O.Egorova, R.Di Leo, V.Yim, A.Savchenko, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.17 / 1.95
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	67.276, 116.684, 92.574, 90.00, 90.00, 90.00
R / Rfree (%)	15.1 / 20.1

The binding sites of Calcium atom in the Crystal Structure of Macrolide 2'-Phosphotransferase Mphb From Escherichia Coli (pdb code 5uxa). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of Macrolide 2'-Phosphotransferase Mphb From Escherichia Coli, PDB code: 5uxa:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of Macrolide 2'-Phosphotransferase Mphb From Escherichia Coli


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 Macrolide 2'-Phosphotransferase Mphb From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:20.9 occ:0.62 O A:HOH571 2.3 37.0 1.0 OXT A:SER302 2.4 66.2 1.0 O A:HOH723 2.5 37.6 1.0 O A:SER302 2.6 55.3 1.0 C A:SER302 2.9 65.0 1.0 O A:HOH730 4.4 34.3 1.0 CA A:SER302 4.4 57.1 1.0 O A:HOH726 4.7 42.1 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of Macrolide 2'-Phosphotransferase Mphb From Escherichia Coli


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 Macrolide 2'-Phosphotransferase Mphb From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:37.7 occ:0.80 O A:HOH513 2.4 22.4 1.0 O A:HOH694 2.5 40.3 1.0 O A:HOH621 2.5 32.4 1.0 O A:HOH592 3.0 37.3 1.0 O A:ALA74 4.2 29.8 1.0 O A:HOH703 4.4 43.5 1.0 OD1 A:ASN71 4.5 30.1 1.0 O A:ASN71 4.5 29.8 1.0 O A:HOH705 4.6 45.7 1.0 O A:PHE77 4.9 22.5 1.0 O A:HOH766 5.0 38.9 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of Macrolide 2'-Phosphotransferase Mphb From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Macrolide 2'-Phosphotransferase Mphb From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:56.7 occ:0.76 O A:HOH770 2.3 72.0 1.0 O A:HOH874 2.4 87.6 1.0 O A:ALA143 2.4 44.7 1.0 O A:HOH546 2.5 46.4 1.0 O A:LEU145 2.5 53.8 1.0 O A:HOH721 2.5 74.4 1.0 C A:ALA143 3.6 52.1 1.0 C A:LEU145 3.7 50.8 1.0 O A:HOH811 3.9 59.8 1.0 N A:LEU145 4.2 52.9 1.0 CA A:ALA143 4.3 43.3 1.0 C A:ALA144 4.3 54.2 1.0 N A:ALA144 4.6 55.6 1.0 CA A:LEU145 4.6 46.2 1.0 N A:ASP146 4.6 40.1 1.0 CA A:ASP146 4.6 39.3 1.0 O A:ALA144 4.6 52.1 1.0 CA A:ALA144 4.7 43.5 1.0 O A:ALA142 4.7 39.5 1.0 OD1 A:ASP146 4.8 63.2 1.0 O A:LEU147 4.9 26.9 1.0

A.C.Pawlowski, P.J.Stogios, K.Koteva, T.Skarina, E.Evdokimova, A.Savchenko, G.D.Wright. The Evolution of Substrate Discrimination in Macrolide Antibiotic Resistance Enzymes. Nat Commun V. 9 112 2018.
ISSN: ESSN 2041-1723
PubMed: 29317655
DOI: 10.1038/S41467-017-02680-0