Magnesium in PDB 6kbd: Fused to-MTBCSM1 with 2DATP

The structure of Fused to-MTBCSM1 with 2DATP, PDB code: 6kbd was solved by T.Li, Y.Huo, T.Jiang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.00 / 3.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.801, 53.317, 124.134, 90.00, 97.78, 90.00
R / Rfree (%)	23.7 / 28.4

The binding sites of Magnesium atom in the Fused to-MTBCSM1 with 2DATP (pdb code 6kbd). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Fused to-MTBCSM1 with 2DATP, PDB code: 6kbd:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Fused to-MTBCSM1 with 2DATP


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Fused to-MTBCSM1 with 2DATP within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg903 b:14.4 occ:1.00 O1A A:DTP902 1.6 63.9 1.0 OD1 A:ASP555 1.9 68.8 1.0 O1G A:DTP902 1.9 54.0 1.0 O A:VAL556 2.0 51.3 1.0 O1B A:DTP902 2.3 65.0 1.0 PA A:DTP902 2.9 77.5 1.0 C A:VAL556 3.0 54.8 1.0 CG A:ASP555 3.1 72.6 1.0 NZ A:LYS687 3.1 55.1 1.0 O3A A:DTP902 3.1 67.5 1.0 OD2 A:ASP627 3.2 61.3 1.0 PB A:DTP902 3.2 55.5 1.0 PG A:DTP902 3.3 63.8 1.0 O3B A:DTP902 3.6 76.4 1.0 OD2 A:ASP555 3.7 70.0 1.0 O5' A:DTP902 3.7 83.1 1.0 CA A:ASP557 3.7 62.0 1.0 N A:ASN558 3.8 49.1 1.0 N A:ASP557 3.8 52.3 1.0 O A:ASP555 3.9 52.6 1.0 C A:ASP557 3.9 49.4 1.0 C A:ASP555 4.0 58.8 1.0 O2G A:DTP902 4.0 77.8 1.0 CA A:VAL556 4.1 54.3 1.0 O2A A:DTP902 4.1 72.6 1.0 CB A:ASP555 4.2 54.5 1.0 CG A:ASP627 4.3 66.8 1.0 N A:VAL556 4.3 53.6 1.0 N A:LEU559 4.3 58.5 1.0 O3G A:DTP902 4.4 66.4 1.0 CE A:LYS687 4.5 57.0 1.0 CB A:VAL556 4.5 55.4 1.0 O2B A:DTP902 4.5 53.0 1.0 O A:ASP557 4.6 58.0 1.0 CA A:ASP555 4.7 54.1 1.0 CB A:LEU559 4.7 60.0 1.0 CA A:ASN558 4.8 59.2 1.0 CG1 A:VAL556 4.8 60.1 1.0 OD1 A:ASP627 4.9 57.1 1.0

Magnesium binding site 2 out of 2 in the Fused to-MTBCSM1 with 2DATP


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Fused to-MTBCSM1 with 2DATP within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg904 b:21.9 occ:1.00 OD1 A:ASP627 2.4 57.1 1.0 O2A A:DTP902 2.5 72.6 1.0 OD2 A:ASP555 2.6 70.0 1.0 OD2 A:ASP628 2.7 69.2 1.0 PA A:DTP902 3.3 77.5 1.0 CG A:ASP627 3.5 66.8 1.0 O1A A:DTP902 3.6 63.9 1.0 C5' A:DTP902 3.6 75.9 1.0 O5' A:DTP902 3.7 83.1 1.0 CG A:ASP628 3.7 62.5 1.0 CG A:ASP555 3.8 72.6 1.0 OD2 A:ASP627 3.9 61.3 1.0 CB A:ASP628 4.0 57.4 1.0 O A:ASP627 4.1 71.5 1.0 C A:ASP627 4.3 56.8 1.0 O3' A:DTP901 4.3 79.6 1.0 OD1 A:ASP555 4.4 68.8 1.0 C3' A:DTP901 4.4 81.3 1.0 N A:ASP627 4.5 53.1 1.0 N A:ASP628 4.7 57.3 1.0 CB A:ASP627 4.8 56.6 1.0 CA A:ASP627 4.8 51.7 1.0 O3A A:DTP902 4.8 67.5 1.0 OD1 A:ASP628 4.8 63.2 1.0 CA A:ASP628 4.8 58.8 1.0 CB A:ASP555 5.0 54.5 1.0

S.Zhang, T.Li, Y.Huo, J.Yang, J.Fleming, W.Wei, S.Gu, L.Bi, T.Jiang, H.Zhang. Fused to-MTBCSM1 with 2DATP To Be Published.