Magnesium in PDB 3ats: Crystal Structure of RV3168

The structure of Crystal Structure of RV3168, PDB code: 3ats was solved by Y.-G.Kim, S.Kim, C.M.T.Nguyen, K.-J.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.61 / 1.67
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.738, 62.366, 103.614, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 23.3

The structure of Crystal Structure of RV3168 also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of RV3168 (pdb code 3ats). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of RV3168, PDB code: 3ats:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of RV3168


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of RV3168 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1 b:17.4 occ:1.00 OE1 A:GLU269 2.3 23.8 1.0 OD1 A:ASP267 2.3 21.7 1.0 OE2 A:GLU57 2.3 38.3 1.0 OE1 A:GLU57 2.4 32.9 1.0 CD A:GLU57 2.7 37.1 1.0 OD2 A:ASP267 2.8 23.0 1.0 CG A:ASP267 2.9 20.8 1.0 CD A:GLU269 3.4 21.4 1.0 MG A:MG2 3.6 37.9 1.0 CG A:GLU269 4.0 18.6 1.0 CG A:GLU57 4.2 34.1 1.0 CB A:ASP267 4.3 16.1 1.0 OE2 A:GLU269 4.4 18.2 1.0 OD2 A:ASP249 4.4 13.1 1.0 CB A:GLU269 4.4 16.6 1.0 NH2 A:ARG79 4.8 19.4 1.0 NH1 A:ARG79 4.9 18.7 1.0 O A:HOH651 4.9 35.0 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of RV3168


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of RV3168 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2 b:37.9 occ:1.00 OD1 A:ASP267 2.6 21.7 1.0 OD1 A:ASN254 2.7 13.4 1.0 O A:HOH602 2.8 38.7 1.0 NH2 A:ARG251 3.3 22.0 1.0 CG A:ASN254 3.5 14.0 1.0 OD2 A:ASP249 3.6 13.1 1.0 MG A:MG1 3.6 17.4 1.0 ND2 A:ASN254 3.6 12.0 1.0 CG A:ASP267 3.7 20.8 1.0 O A:HOH651 3.8 35.0 1.0 OE2 A:GLU57 3.8 38.3 1.0 CZ A:ARG251 4.3 21.1 1.0 CB A:ASP267 4.3 16.1 1.0 CD A:GLU57 4.4 37.1 1.0 CG A:ASP249 4.6 14.5 1.0 OE1 A:GLU57 4.6 32.9 1.0 OD2 A:ASP267 4.7 23.0 1.0 NE A:ARG251 4.7 15.9 1.0 OD1 A:ASP143 4.7 24.1 1.0 O A:HOH401 4.8 37.0 1.0 O A:HOH438 4.9 47.8 1.0 CB A:ASN254 5.0 12.9 1.0

S.Kim, C.M.T.Nguyen, E.-J.Kim, K.-J.Kim. Crystal Structure of Mycobacterium Tuberculosis RV3168: A Putative Aminoglycoside Antibiotics Resistance Enzyme Proteins V. 79 2983 2011.
ISSN: ISSN 0887-3585
PubMed: 21905120
DOI: 10.1002/PROT.23119