Calcium in PDB 7w19: Crystal Structure of Acinetobacter Baumannii Mph-E

The structure of Crystal Structure of Acinetobacter Baumannii Mph-E, PDB code: 7w19 was solved by Q.Qi, L.Kuang, Y.Jiang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.11 / 1.90
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	86.844, 142.172, 92.229, 90, 90, 90
R / Rfree (%)	22.4 / 26.5

The structure of Crystal Structure of Acinetobacter Baumannii Mph-E also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Calcium atom in the Crystal Structure of Acinetobacter Baumannii Mph-E (pdb code 7w19). 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 Acinetobacter Baumannii Mph-E, PDB code: 7w19:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Acinetobacter Baumannii Mph-E


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 Acinetobacter Baumannii Mph-E within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:12.0 occ:1.00 O B:LEU71 2.5 18.2 1.0 O A:LEU71 2.6 18.1 1.0 O A:LYS68 2.6 16.1 1.0 O B:LYS68 2.6 14.2 1.0 O A:HOH620 2.7 19.7 1.0 O B:HOH504 2.7 17.8 1.0 O B:HOH452 2.7 15.2 1.0 O A:HOH576 2.7 15.8 1.0 C B:LEU71 3.8 19.1 1.0 C A:LEU71 3.8 15.2 1.0 C B:LYS68 3.8 16.9 1.0 C A:LYS68 3.8 15.0 1.0 N A:LEU71 4.3 17.1 1.0 N B:LEU71 4.4 19.8 1.0 CA B:LYS68 4.5 17.1 1.0 CA A:LYS68 4.5 16.0 1.0 CA A:LEU71 4.6 17.2 1.0 C A:LYS69 4.7 18.1 1.0 CA B:LEU71 4.7 19.9 1.0 O B:HOH548 4.7 21.5 1.0 N B:SER72 4.7 20.2 1.0 CA B:SER72 4.7 18.9 1.0 N A:SER72 4.7 21.3 0.5 N A:SER72 4.7 14.9 0.5 CA A:SER72 4.8 17.2 0.5 C B:LYS69 4.8 18.8 1.0 N A:LYS69 4.8 14.2 1.0 O A:LYS69 4.8 18.7 1.0 CA A:SER72 4.8 18.2 0.5 N B:LYS69 4.8 17.0 1.0 CA A:LYS69 4.8 15.1 1.0 O B:LYS69 4.9 14.4 1.0 O B:VAL73 4.9 14.7 1.0 CB B:LYS68 4.9 16.8 1.0 CB A:LYS68 4.9 12.8 1.0 O A:HOH654 4.9 17.9 1.0 CA B:LYS69 4.9 19.2 1.0 N A:HIS70 4.9 17.6 1.0 O A:VAL73 5.0 18.1 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Acinetobacter Baumannii Mph-E


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 Acinetobacter Baumannii Mph-E within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:16.6 occ:1.00 O A:HOH636 2.5 42.5 1.0 O A:ASP179 2.5 21.9 1.0 OD1 A:ASP181 2.6 32.8 1.0 OD2 A:ASP179 2.7 36.5 1.0 C A:ASP179 3.6 25.8 1.0 CG A:ASP181 3.7 35.7 1.0 CG A:ASP179 3.7 35.5 1.0 CA A:ASP179 4.1 25.9 1.0 OD2 A:ASP181 4.3 40.0 1.0 O A:HOH655 4.4 21.1 1.0 OD1 A:ASP179 4.5 36.8 1.0 O A:HOH590 4.5 47.1 1.0 CB A:ASP179 4.5 26.6 1.0 N A:ASP181 4.5 22.3 1.0 NH2 A:ARG150 4.7 31.4 1.0 N A:ASN180 4.7 23.0 1.0 CB A:ASP181 4.7 24.9 1.0

Q.Qi, L.Kuang, Y.Jiang. Crystal Structure of the Acinetobacter Baumannii Macrolide Phosphotransferases E Reveal the Novel Catalysis Mechanism To Be Published.