Calcium in PDB 7cs0: Aminoglycoside 2'-N-Acetyltransferase From Mycolicibacterium Smegmatis-Complex with Coenzyme A and Paromomycin

The structure of Aminoglycoside 2'-N-Acetyltransferase From Mycolicibacterium Smegmatis-Complex with Coenzyme A and Paromomycin, PDB code: 7cs0 was solved by C.S.Jeong, J.Hwang, H.Do, J.H.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.20 / 2.05
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	56.374, 56.374, 122.866, 90, 90, 120
R / Rfree (%)	18.3 / 23.3

The binding sites of Calcium atom in the Aminoglycoside 2'-N-Acetyltransferase From Mycolicibacterium Smegmatis-Complex with Coenzyme A and Paromomycin (pdb code 7cs0). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Aminoglycoside 2'-N-Acetyltransferase From Mycolicibacterium Smegmatis-Complex with Coenzyme A and Paromomycin, PDB code: 7cs0:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Aminoglycoside 2'-N-Acetyltransferase From Mycolicibacterium Smegmatis-Complex with Coenzyme A and Paromomycin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Aminoglycoside 2'-N-Acetyltransferase From Mycolicibacterium Smegmatis-Complex with Coenzyme A and Paromomycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca306 b:35.6 occ:1.00 O A:ASP54 2.2 27.0 1.0 O61 A:PAR301 2.2 25.2 1.0 O A:HOH443 2.3 39.0 1.0 OD2 A:ASP59 2.5 14.3 1.0 O A:HOH498 2.9 42.3 1.0 C A:ASP54 3.4 29.2 1.0 C61 A:PAR301 3.4 21.7 1.0 CG A:ASP59 3.5 15.4 1.0 OD1 A:ASP59 3.8 16.8 1.0 OD2 A:ASP208 4.0 33.8 1.0 C51 A:PAR301 4.2 20.1 1.0 N A:PHE55 4.3 23.2 1.0 CA A:ASP54 4.4 33.8 1.0 CA A:PHE55 4.4 21.6 1.0 CG2 A:THR56 4.5 17.7 1.0 N A:THR56 4.5 18.1 1.0 O A:HOH433 4.6 51.0 1.0 O23 A:PAR301 4.6 27.8 1.0 OG1 A:THR56 4.7 17.7 1.0 CB A:ASP59 4.8 14.7 1.0 CG A:ASP208 4.9 26.6 1.0 C A:PHE55 5.0 20.2 1.0 O51 A:PAR301 5.0 19.7 1.0

Calcium binding site 2 out of 3 in the Aminoglycoside 2'-N-Acetyltransferase From Mycolicibacterium Smegmatis-Complex with Coenzyme A and Paromomycin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Aminoglycoside 2'-N-Acetyltransferase From Mycolicibacterium Smegmatis-Complex with Coenzyme A and Paromomycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca307 b:62.8 occ:1.00 O A:HOH431 2.9 23.2 1.0 O A:HOH416 3.0 20.7 1.0 OD1 A:ASP57 4.6 23.2 1.0 O A:HOH485 4.8 27.0 1.0 OD2 A:ASP57 4.8 23.0 1.0 O A:HOH465 5.0 24.2 1.0

Calcium binding site 3 out of 3 in the Aminoglycoside 2'-N-Acetyltransferase From Mycolicibacterium Smegmatis-Complex with Coenzyme A and Paromomycin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Aminoglycoside 2'-N-Acetyltransferase From Mycolicibacterium Smegmatis-Complex with Coenzyme A and Paromomycin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca304 b:33.8 occ:1.00 O61 B:PAR301 2.3 17.8 1.0 O B:ASP54 2.4 28.2 1.0 OD2 B:ASP59 2.4 18.2 1.0 C61 B:PAR301 3.3 18.1 1.0 OD1 B:ASP54 3.3 49.2 1.0 CG B:ASP59 3.4 17.2 1.0 C B:ASP54 3.6 28.6 1.0 OD1 B:ASP59 3.7 18.7 1.0 C51 B:PAR301 4.1 17.4 1.0 OD2 B:ASP208 4.2 29.2 1.0 CG B:ASP54 4.4 41.6 1.0 CA B:PHE55 4.4 23.9 1.0 N B:PHE55 4.4 24.6 1.0 O23 B:PAR301 4.4 25.1 1.0 CG2 B:THR56 4.5 20.4 1.0 CA B:ASP54 4.5 33.7 1.0 N B:THR56 4.6 23.2 1.0 CB B:ASP59 4.7 16.8 1.0 OG1 B:THR56 4.8 18.1 1.0 O51 B:PAR301 5.0 17.4 1.0

C.S.Jeong, J.Hwang, H.Do, S.S.Cha, T.J.Oh, H.J.Kim, H.H.Park, J.H.Lee. Structural and Biochemical Analyses of An Aminoglycoside 2'-N-Acetyltransferase From Mycolicibacterium Smegmatis. Sci Rep V. 10 21503 2020.
ISSN: ESSN 2045-2322
PubMed: 33299080
DOI: 10.1038/S41598-020-78699-Z