Magnesium in PDB 8rok: Human Cohesin SMC3-Hd(Eq)/RAD21-C Complex - Atp-Mg-Bound Conformation - Form 1

The structure of Human Cohesin SMC3-Hd(Eq)/RAD21-C Complex - Atp-Mg-Bound Conformation - Form 1, PDB code: 8rok was solved by M.Vitoria Gomes, C.Romier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.21 / 2.25
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	118.244, 154.459, 136.541, 90, 90, 90
R / Rfree (%)	20.2 / 25.3

The binding sites of Magnesium atom in the Human Cohesin SMC3-Hd(Eq)/RAD21-C Complex - Atp-Mg-Bound Conformation - Form 1 (pdb code 8rok). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Human Cohesin SMC3-Hd(Eq)/RAD21-C Complex - Atp-Mg-Bound Conformation - Form 1, PDB code: 8rok:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Human Cohesin SMC3-Hd(Eq)/RAD21-C Complex - Atp-Mg-Bound Conformation - Form 1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Human Cohesin SMC3-Hd(Eq)/RAD21-C Complex - Atp-Mg-Bound Conformation - Form 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2002 b:48.6 occ:1.00 OG A:SER39 1.9 47.4 1.0 O2G A:AGS2001 2.0 37.5 1.0 O A:HOH2136 2.1 41.2 1.0 O A:HOH2117 2.1 34.2 1.0 O A:HOH2128 2.2 44.6 1.0 O2B A:AGS2001 2.4 42.2 1.0 CB A:SER39 3.2 45.6 1.0 PG A:AGS2001 3.4 43.7 1.0 O A:HOH2137 3.5 68.8 1.0 PB A:AGS2001 3.7 45.5 1.0 O3B A:AGS2001 4.0 50.9 1.0 O A:HOH2119 4.0 53.8 1.0 N C:GLY1117 4.1 52.0 1.0 OD2 A:ASP1143 4.1 45.9 1.0 O2A A:AGS2001 4.2 44.4 1.0 S1G A:AGS2001 4.2 43.6 1.0 N A:SER39 4.3 39.9 1.0 CA A:SER39 4.3 44.8 1.0 OD1 A:ASP1143 4.3 54.0 1.0 CA C:GLY1117 4.5 36.9 1.0 O3A A:AGS2001 4.5 46.8 1.0 CG A:ASP1143 4.6 52.7 1.0 O3G A:AGS2001 4.7 52.7 1.0 O1B A:AGS2001 4.8 45.0 1.0 O A:HOH2145 4.8 76.9 1.0 PA A:AGS2001 4.9 45.3 1.0

Magnesium binding site 2 out of 2 in the Human Cohesin SMC3-Hd(Eq)/RAD21-C Complex - Atp-Mg-Bound Conformation - Form 1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Human Cohesin SMC3-Hd(Eq)/RAD21-C Complex - Atp-Mg-Bound Conformation - Form 1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg2000 b:48.8 occ:1.00 O2G C:AGS2001 1.9 41.6 1.0 OG C:SER39 2.0 46.9 1.0 O2B C:AGS2001 2.2 45.6 1.0 O C:HOH2118 2.2 44.2 1.0 O C:HOH2110 2.3 36.8 1.0 O C:HOH2134 2.3 48.6 1.0 CB C:SER39 3.2 53.1 1.0 PG C:AGS2001 3.3 41.2 1.0 PB C:AGS2001 3.4 41.5 1.0 O3B C:AGS2001 3.8 52.7 1.0 O C:HOH2137 4.0 49.2 1.0 S1G C:AGS2001 4.0 46.6 1.0 O2A C:AGS2001 4.1 49.5 1.0 N A:GLY1117 4.1 44.4 1.0 OD2 C:ASP1143 4.2 57.1 1.0 N C:SER39 4.2 44.0 1.0 CA C:SER39 4.3 44.3 1.0 O C:HOH2136 4.4 72.4 1.0 O3A C:AGS2001 4.4 46.2 1.0 OD1 C:ASP1143 4.5 51.9 1.0 O1B C:AGS2001 4.5 52.0 1.0 CA A:GLY1117 4.6 38.6 1.0 O3G C:AGS2001 4.6 48.8 1.0 PA C:AGS2001 4.7 45.6 1.0 CG C:ASP1143 4.8 55.2 1.0 CB A:SER1116 4.9 37.5 1.0

M.Vitoria Gomes, C.Romier. The Cohesin Atpase Cycle Is Mediated By Specific Conformational Dynamics and Interface Plasticity of SMC1A and SMC3 Atpase Domains To Be Published.