Magnesium in PDB 3lij: Crystal Structure of Full Length CPCDPK3 (CGD5_820) in Complex with CA2+ and Amppnp

The structure of Crystal Structure of Full Length CPCDPK3 (CGD5_820) in Complex with CA2+ and Amppnp, PDB code: 3lij was solved by W.Qiu, A.Hutchinson, A.Wernimont, J.R.Walker, H.Sullivan, Y.-H.Lin, F.Mackenzie, I.Kozieradzki, D.Cossar, M.Schapira, G.Senisterra, M.Vedadi, C.H.Arrowsmith, C.Bountra, J.Weigelt, A.M.Edwards, A.Bochkarev, R.Hui, M.Amani, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.56 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.080, 88.060, 58.610, 90.00, 118.07, 90.00
R / Rfree (%)	20.3 / 22.9

The structure of Crystal Structure of Full Length CPCDPK3 (CGD5_820) in Complex with CA2+ and Amppnp also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Magnesium atom in the Crystal Structure of Full Length CPCDPK3 (CGD5_820) in Complex with CA2+ and Amppnp (pdb code 3lij). 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 Crystal Structure of Full Length CPCDPK3 (CGD5_820) in Complex with CA2+ and Amppnp, PDB code: 3lij:

Magnesium binding site 1 out of 1 in the Crystal Structure of Full Length CPCDPK3 (CGD5_820) in Complex with CA2+ and Amppnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Full Length CPCDPK3 (CGD5_820) in Complex with CA2+ and Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg521 b:49.3 occ:1.00 OD1 A:ASN189 2.5 26.6 1.0 O1G A:ANP522 2.5 59.6 1.0 O A:HOH708 2.5 63.3 1.0 OD2 A:ASP205 2.6 51.7 1.0 O2G A:ANP522 3.3 0.3 1.0 O3A A:ANP522 3.4 0.6 1.0 CG A:ASN189 3.5 33.4 1.0 PG A:ANP522 3.5 0.6 1.0 CG A:ASP205 3.6 44.6 1.0 ND2 A:ASN189 3.7 25.1 1.0 O2B A:ANP522 4.0 0.0 1.0 CB A:ASP205 4.1 30.9 1.0 O A:HOH618 4.2 42.4 1.0 O A:HOH701 4.2 58.7 1.0 PB A:ANP522 4.2 1.0 1.0 O A:HOH722 4.3 59.4 1.0 O2A A:ANP522 4.4 73.2 1.0 N3B A:ANP522 4.5 0.5 1.0 PA A:ANP522 4.6 0.8 1.0 OD1 A:ASP205 4.7 45.3 1.0 CE A:LYS186 4.7 35.1 1.0 O3G A:ANP522 4.7 0.7 1.0 CB A:ASN189 4.8 19.6 1.0 O A:HOH585 4.9 59.2 1.0

W.Qiu, A.Hutchinson, A.Wernimont, J.R.Walker, H.Sullivan, Y.-H.Lin, F.Mackenzie, I.Kozieradzki, D.Cossar, M.Schapira, G.Senisterra, M.Vedadi, C.H.Arrowsmith, C.Bountra, J.Weigelt, A.M.Edwards, A.Bochkarev, R.Hui, M.Amani. Crystal Structure of Full Length CPCDPK3 (CGD5_820) in Complex with CA2+ and Amppnp To Be Published.