Magnesium in PDB 3att: Crystal Structure of RV3168 with Atp

The structure of Crystal Structure of RV3168 with Atp, PDB code: 3att 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)	30.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.876, 62.104, 103.265, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 25

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

Calcium

(Ca)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of RV3168 with Atp (pdb code 3att). 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 with Atp, PDB code: 3att:
Jump to Magnesium binding site number: 1; 2;

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


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 with Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1 b:13.6 occ:1.00 OE1 A:GLU269 2.1 31.9 1.0 O2B A:ATP510 2.4 45.5 1.0 OD2 A:ASP267 2.4 17.5 1.0 OD1 A:ASP267 2.4 22.2 1.0 CG A:ASP267 2.7 21.2 1.0 OXT A:ACT1209 3.0 38.7 1.0 O3B A:ATP510 3.1 46.0 1.0 O A:HOH485 3.1 43.0 1.0 CD A:GLU269 3.1 30.7 1.0 PB A:ATP510 3.5 35.2 1.0 O1G A:ATP510 3.6 60.3 1.0 C A:ACT1209 3.7 39.1 1.0 CG A:GLU269 3.8 25.7 1.0 MG A:MG379 3.8 12.2 1.0 O A:ACT1209 4.0 38.0 1.0 OE2 A:GLU269 4.1 27.5 1.0 PG A:ATP510 4.1 61.2 1.0 O1B A:ATP510 4.2 37.4 1.0 CB A:ASP267 4.3 20.1 1.0 OD2 A:ASP249 4.4 20.7 1.0 NH1 A:ARG79 4.4 40.7 1.0 NH2 A:ARG79 4.6 38.0 1.0 O3G A:ATP510 4.6 55.9 1.0 O3A A:ATP510 4.7 30.4 1.0 CH3 A:ACT1209 4.8 36.9 1.0 O2A A:ATP510 5.0 28.9 1.0

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


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 with Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg379 b:12.2 occ:1.00 O2A A:ATP510 2.2 28.9 1.0 O1G A:ATP510 2.3 60.3 1.0 OD2 A:ASP267 2.3 17.5 1.0 OD1 A:ASN254 2.3 20.5 1.0 O3B A:ATP510 2.3 46.0 1.0 PG A:ATP510 2.7 61.2 1.0 O2G A:ATP510 2.8 52.0 1.0 CG A:ASP267 3.2 21.2 1.0 CG A:ASN254 3.3 27.0 1.0 PA A:ATP510 3.4 28.2 1.0 PB A:ATP510 3.6 35.2 1.0 O2B A:ATP510 3.7 45.5 1.0 ND2 A:ASN254 3.7 23.0 1.0 CB A:ASP267 3.8 20.1 1.0 O3A A:ATP510 3.8 30.4 1.0 MG A:MG1 3.8 13.6 1.0 O A:HOH17 3.9 22.7 1.0 O3G A:ATP510 4.1 55.9 1.0 OD1 A:ASP267 4.3 22.2 1.0 O1A A:ATP510 4.4 27.6 1.0 NH2 A:ARG251 4.6 24.9 1.0 O5' A:ATP510 4.6 29.5 1.0 CB A:ASN254 4.6 22.5 1.0 O A:GLY253 4.6 22.6 1.0 OD2 A:ASP249 4.8 20.7 1.0 C5' A:ATP510 4.8 25.6 1.0 CA A:ASN254 5.0 24.4 1.0 O1B A:ATP510 5.0 37.4 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