Magnesium in PDB 5n1w: Structure of XECO2 Acetyltransferase Domain Bound to K105-Coa Conjugate

The structure of Structure of XECO2 Acetyltransferase Domain Bound to K105-Coa Conjugate, PDB code: 5n1w was solved by W.C.H.Chao, B.O.Wade, M.R.Singleton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.49 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.301, 60.610, 66.905, 90.00, 99.63, 90.00
R / Rfree (%)	19.7 / 23.9

The binding sites of Magnesium atom in the Structure of XECO2 Acetyltransferase Domain Bound to K105-Coa Conjugate (pdb code 5n1w). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of XECO2 Acetyltransferase Domain Bound to K105-Coa Conjugate, PDB code: 5n1w:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of XECO2 Acetyltransferase Domain Bound to K105-Coa Conjugate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of XECO2 Acetyltransferase Domain Bound to K105-Coa Conjugate within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg801 b:40.4 occ:1.00 O C:HOH905 2.0 42.8 1.0 O C:HOH901 2.0 28.3 1.0 O C:HOH904 2.2 27.8 1.0 O C:HOH906 2.2 30.3 1.0 O45 C:8HB802 2.4 21.8 1.0 HH21 B:ARG647 3.7 30.5 1.0 P44 C:8HB802 3.7 23.6 1.0 O47 C:8HB802 3.9 26.2 1.0 HH22 B:ARG647 4.1 30.5 1.0 NH2 B:ARG647 4.2 25.4 1.0 O49 C:8HB802 4.5 18.8 1.0 O43 C:8HB802 4.7 30.2 1.0 O46 C:8HB802 4.7 23.4 1.0

Magnesium binding site 2 out of 2 in the Structure of XECO2 Acetyltransferase Domain Bound to K105-Coa Conjugate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of XECO2 Acetyltransferase Domain Bound to K105-Coa Conjugate within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg801 b:39.8 occ:1.00 O D:HOH904 1.9 30.3 1.0 O D:HOH902 2.1 29.2 1.0 O D:HOH910 2.2 37.0 1.0 O D:HOH908 2.3 34.1 1.0 O45 D:8HB802 2.3 23.8 1.0 P44 D:8HB802 3.5 24.2 1.0 HH21 A:ARG647 3.5 35.5 1.0 O47 D:8HB802 3.6 22.4 1.0 O49 D:8HB802 3.9 24.2 1.0 HH22 A:ARG647 4.0 35.5 1.0 NH2 A:ARG647 4.1 29.6 1.0 O43 D:8HB802 4.4 25.9 1.0 O46 D:8HB802 4.6 21.4 1.0 C48 D:8HB802 4.7 21.6 1.0 O A:HOH958 4.7 34.6 1.0

W.C.Chao, B.O.Wade, C.Bouchoux, A.W.Jones, A.G.Purkiss, S.Federico, N.O'reilly, A.P.Snijders, F.Uhlmann, M.R.Singleton. Structural Basis of ECO1-Mediated Cohesin Acetylation. Sci Rep V. 7 44313 2017.
ISSN: ESSN 2045-2322
PubMed: 28290497
DOI: 10.1038/SREP44313