Magnesium in PDB 4wxe: Crystal Structure of A Laci Regulator From Lactobacillus Casei (LSEI_2103, Target Efi-512911) with Bound Tris

The structure of Crystal Structure of A Laci Regulator From Lactobacillus Casei (LSEI_2103, Target Efi-512911) with Bound Tris, PDB code: 4wxe was solved by M.W.Vetting, N.F.Al Obaidi, R.Toro, L.L.Morisco, J.Benach, S.R.Wasserman, J.D.Attonito, A.Scott Glenn, S.Chamala, S.Chowdhury, J.Lafleur, J.Love, R.D.Seidel, K.L.Whalen, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative(Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.47 / 1.50
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	108.047, 108.047, 121.477, 90.00, 90.00, 120.00
R / Rfree (%)	14.6 / 16.8

The structure of Crystal Structure of A Laci Regulator From Lactobacillus Casei (LSEI_2103, Target Efi-512911) with Bound Tris also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of A Laci Regulator From Lactobacillus Casei (LSEI_2103, Target Efi-512911) with Bound Tris (pdb code 4wxe). 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 A Laci Regulator From Lactobacillus Casei (LSEI_2103, Target Efi-512911) with Bound Tris, PDB code: 4wxe:

Magnesium binding site 1 out of 1 in the Crystal Structure of A Laci Regulator From Lactobacillus Casei (LSEI_2103, Target Efi-512911) with Bound Tris


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 A Laci Regulator From Lactobacillus Casei (LSEI_2103, Target Efi-512911) with Bound Tris within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg405 b:32.4 occ:1.00 O A:HOH762 2.1 32.3 1.0 O A:HOH818 2.1 35.5 1.0 O A:HOH836 2.1 35.0 1.0 O A:HOH787 2.1 35.6 1.0 O A:HOH712 2.1 20.9 1.0 O A:HOH710 2.1 20.0 1.0 HD1 A:HIS176 3.6 17.9 1.0 O A:HOH785 3.8 33.6 1.0 HE1 A:HIS176 3.8 16.0 1.0 HB3 A:ASP243 4.0 12.4 1.0 O A:ASP270 4.1 16.8 1.0 O A:HOH794 4.1 28.8 1.0 O A:ASP269 4.1 20.7 1.0 HA A:ASP243 4.1 13.5 1.0 OD1 A:ASP243 4.1 17.0 1.0 ND1 A:HIS176 4.3 14.9 1.0 O A:HOH882 4.4 34.7 1.0 CE1 A:HIS176 4.4 13.3 1.0 CG A:ASP243 4.6 12.9 1.0 CB A:ASP243 4.6 10.4 1.0 HA A:ASP270 4.7 19.6 1.0 O A:ASP243 4.7 11.0 1.0 CA A:ASP243 4.8 11.2 1.0 C A:ASP270 4.8 15.2 1.0 O A:HOH909 5.0 34.7 1.0

M.W.Vetting, N.F.Al Obaidi, R.Toro, L.L.Morisco, J.Benach, S.R.Wasserman, J.D.Attonito, A.Scott Glenn, S.Chamala, S.Chowdhury, J.Lafleur, J.Love, R.D.Seidel, K.L.Whalen, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi). Crystal Structure of A Laci Regulator From Lactobacillus Casei (LSEI_2103, Target Efi-512911) with Bound Tris To Be Published.