Magnesium in PDB 8rof: Human Cohesin SMC1A-Hd(Shortcc-Eq)/RAD21-C Complex - Adp-Mg-Bound Conformation

The structure of Human Cohesin SMC1A-Hd(Shortcc-Eq)/RAD21-C Complex - Adp-Mg-Bound Conformation, PDB code: 8rof 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)	43.57 / 1.65
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	66.453, 113.906, 133.844, 90, 90, 90
R / Rfree (%)	19.6 / 22.8

The binding sites of Magnesium atom in the Human Cohesin SMC1A-Hd(Shortcc-Eq)/RAD21-C Complex - Adp-Mg-Bound Conformation (pdb code 8rof). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Human Cohesin SMC1A-Hd(Shortcc-Eq)/RAD21-C Complex - Adp-Mg-Bound Conformation, PDB code: 8rof:

Magnesium binding site 1 out of 1 in the Human Cohesin SMC1A-Hd(Shortcc-Eq)/RAD21-C Complex - Adp-Mg-Bound Conformation


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Human Cohesin SMC1A-Hd(Shortcc-Eq)/RAD21-C Complex - Adp-Mg-Bound Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2000 b:45.1 occ:1.00 O A:HOH2149 2.1 37.0 1.0 O A:HOH2174 2.1 41.6 1.0 O A:HOH2103 2.2 39.2 1.0 O3B A:ADP2001 2.2 22.0 1.0 OG A:SER39 2.3 25.6 0.6 O A:HOH2251 2.4 35.3 1.0 PB A:ADP2001 3.2 32.0 1.0 O1B A:ADP2001 3.3 40.8 1.0 CB A:SER39 3.4 24.6 0.4 CB A:SER39 3.4 25.2 0.6 OG A:SER39 3.4 29.3 0.4 O2A A:ADP2001 3.8 47.8 1.0 O A:HOH2300 3.9 40.2 1.0 OE1 A:GLN137 4.1 38.1 1.0 O3A A:ADP2001 4.1 33.4 1.0 N A:SER39 4.2 22.6 1.0 CA A:SER39 4.4 26.3 0.6 O A:HOH2214 4.4 37.5 1.0 O A:HOH2344 4.4 56.4 1.0 CA A:SER39 4.4 26.0 0.4 PA A:ADP2001 4.4 43.3 1.0 O2B A:ADP2001 4.4 29.1 1.0 O A:HOH2117 4.5 43.9 1.0 O A:HOH2208 4.7 41.9 1.0 O1A A:ADP2001 4.8 41.0 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.