Magnesium in PDB 6kc0: Fused to-MTBCSM1 with 2ATP

The structure of Fused to-MTBCSM1 with 2ATP, PDB code: 6kc0 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)	64.36 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.628, 53.622, 130.313, 90.00, 98.97, 90.00
R / Rfree (%)	21.3 / 28.6

The binding sites of Magnesium atom in the Fused to-MTBCSM1 with 2ATP (pdb code 6kc0). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Fused to-MTBCSM1 with 2ATP, PDB code: 6kc0:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Fused to-MTBCSM1 with 2ATP


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 2ATP within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg903 b:15.1 occ:1.00 O3G A:ATP902 1.9 54.6 1.0 O2A A:ATP902 2.1 14.7 1.0 O A:VAL556 2.3 16.1 1.0 OD2 A:ASP627 2.3 19.9 1.0 OD1 A:ASP555 2.4 37.1 1.0 O2B A:ATP902 2.9 45.0 1.0 CG A:ASP555 3.2 30.7 1.0 OD2 A:ASP555 3.2 33.0 1.0 PA A:ATP902 3.3 24.7 1.0 PG A:ATP902 3.3 46.4 1.0 CG A:ASP627 3.4 23.8 1.0 O3A A:ATP902 3.4 17.2 1.0 MG A:MG904 3.5 41.1 1.0 C A:VAL556 3.5 24.0 1.0 PB A:ATP902 3.6 24.3 1.0 OD1 A:ASP627 3.8 25.9 1.0 O3B A:ATP902 3.9 26.3 1.0 O2G A:ATP902 4.0 49.7 1.0 N A:VAL556 4.1 16.3 1.0 N A:LEU559 4.1 41.7 1.0 C5' A:ATP902 4.1 22.4 1.0 NZ A:LYS687 4.2 22.1 1.0 O5' A:ATP902 4.2 20.1 1.0 CB A:LEU559 4.2 32.2 1.0 O1G A:ATP902 4.2 17.4 1.0 CA A:VAL556 4.2 26.0 1.0 O1A A:ATP902 4.5 36.5 1.0 C A:ASP555 4.5 22.6 1.0 N A:ASP557 4.5 17.7 1.0 N A:ASN558 4.6 30.2 1.0 CB A:ASP555 4.6 28.2 1.0 CB A:VAL556 4.6 15.4 1.0 CB A:ASP627 4.7 15.5 1.0 CA A:LEU559 4.8 25.2 1.0 CA A:ASP557 4.8 27.1 1.0 C A:ASP557 4.8 24.1 1.0 O A:ASP627 4.9 30.0 1.0 CE A:LYS687 4.9 23.9 1.0 O1B A:ATP902 5.0 36.2 1.0

Magnesium binding site 2 out of 3 in the Fused to-MTBCSM1 with 2ATP


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 2ATP within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg904 b:41.1 occ:1.00 OD1 A:ASP627 2.4 25.9 1.0 OD2 A:ASP555 2.5 33.0 1.0 O A:HOH1145 2.5 33.3 1.0 O2A A:ATP902 2.6 14.7 1.0 O A:HOH1105 2.6 34.6 1.0 O3' A:ATP901 3.0 74.9 1.0 CG A:ASP627 3.2 23.8 1.0 OD2 A:ASP627 3.4 19.9 1.0 MG A:MG903 3.5 15.1 1.0 CG A:ASP555 3.6 30.7 1.0 O A:HOH1051 3.7 33.7 1.0 PA A:ATP902 3.9 24.7 1.0 C3' A:ATP901 4.1 69.2 1.0 CB A:ASP628 4.1 37.0 1.0 OD1 A:ASP555 4.1 37.1 1.0 O1A A:ATP902 4.3 36.5 1.0 C5' A:ATP902 4.3 22.4 1.0 O A:ASP627 4.4 30.0 1.0 O5' A:ATP902 4.4 20.1 1.0 C A:ASP627 4.5 24.3 1.0 OD1 A:ASP628 4.6 84.0 1.0 CG A:ASP628 4.6 70.4 1.0 CB A:ASP627 4.6 15.5 1.0 O2' A:ATP901 4.6 53.9 1.0 CB A:ASP555 4.7 28.2 1.0 N A:ASP628 4.9 17.9 1.0 O3G A:ATP902 4.9 54.6 1.0 CA A:ASP628 4.9 24.9 1.0 CA A:ASP627 4.9 15.6 1.0 C2' A:ATP901 5.0 59.7 1.0

Magnesium binding site 3 out of 3 in the Fused to-MTBCSM1 with 2ATP


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Fused to-MTBCSM1 with 2ATP within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg905 b:64.1 occ:1.00 O3B A:ATP901 3.1 0.5 1.0 O3A A:ATP901 3.4 98.4 1.0 N A:GLY242 3.8 26.7 1.0 O3G A:ATP901 3.9 0.0 1.0 PB A:ATP901 4.0 0.4 1.0 O1A A:ATP901 4.0 82.3 1.0 PA A:ATP901 4.1 83.2 1.0 CB A:SER241 4.2 24.0 1.0 PG A:ATP901 4.2 0.5 1.0 O2A A:ATP901 4.3 76.7 1.0 OG A:SER241 4.3 30.8 1.0 CA A:GLY242 4.5 23.3 1.0 NH1 A:ARG370 4.5 43.7 1.0 CA A:SER241 4.6 27.6 1.0 C A:SER241 4.6 29.2 1.0 O1G A:ATP901 4.8 0.2 1.0 O1B A:ATP901 4.9 0.3 1.0 O2B A:ATP901 4.9 0.4 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 2ATP To Be Published.