Magnesium in PDB 4x04: Crystal Structure of A Trap Periplasmic Solute Binding Protein From Citrobacter Koseri (CKO_04899, Target Efi-510094) with Bound D- Glucuronate

The structure of Crystal Structure of A Trap Periplasmic Solute Binding Protein From Citrobacter Koseri (CKO_04899, Target Efi-510094) with Bound D- Glucuronate, PDB code: 4x04 was solved by U.Yadava, 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, Enzymefunction Initiative (Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.73 / 2.50
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	175.000, 175.000, 125.640, 90.00, 90.00, 90.00
R / Rfree (%)	15.4 / 20.5

The structure of Crystal Structure of A Trap Periplasmic Solute Binding Protein From Citrobacter Koseri (CKO_04899, Target Efi-510094) with Bound D- Glucuronate also contains other interesting chemical elements:

Chlorine

(Cl)

6 atoms

The binding sites of Magnesium atom in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Citrobacter Koseri (CKO_04899, Target Efi-510094) with Bound D- Glucuronate (pdb code 4x04). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Citrobacter Koseri (CKO_04899, Target Efi-510094) with Bound D- Glucuronate, PDB code: 4x04:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Citrobacter Koseri (CKO_04899, Target Efi-510094) with Bound D- Glucuronate


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 Trap Periplasmic Solute Binding Protein From Citrobacter Koseri (CKO_04899, Target Efi-510094) with Bound D- Glucuronate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg404 b:15.0 occ:1.00 O A:HOH750 1.9 15.7 1.0 O D:HOH708 2.0 10.5 1.0 OD2 A:ASP73 2.1 9.5 1.0 O D:HOH707 2.2 6.5 1.0 O D:HOH683 2.2 6.3 1.0 OD2 D:ASP73 2.2 6.8 1.0 CG A:ASP73 3.2 11.9 1.0 CG D:ASP73 3.4 11.7 1.0 OG A:SER197 3.7 21.5 1.0 OE2 A:GLU198 3.9 10.4 1.0 OG D:SER197 4.0 8.5 1.0 CB D:ASP73 4.0 9.1 1.0 OD1 A:ASP73 4.1 10.0 1.0 CB A:ASP73 4.1 7.5 1.0 OE1 D:GLN76 4.2 8.2 1.0 O D:HOH686 4.2 26.5 1.0 OE2 D:GLU198 4.3 9.0 1.0 OD1 D:ASP73 4.4 9.4 1.0 OE1 A:GLN76 4.4 18.3 1.0 NE2 D:GLN76 4.4 19.3 1.0 O A:HOH680 4.6 22.0 1.0 CD D:GLN76 4.7 14.9 1.0 NE2 A:GLN76 4.8 26.7 1.0 CD A:GLU198 4.8 13.4 1.0 CA D:GLY195 4.9 10.5 1.0 CG A:GLU198 4.9 9.5 1.0 N D:ASP73 4.9 6.9 1.0 N A:ASP73 5.0 6.5 1.0 CG D:GLU198 5.0 10.1 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Citrobacter Koseri (CKO_04899, Target Efi-510094) with Bound D- Glucuronate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of A Trap Periplasmic Solute Binding Protein From Citrobacter Koseri (CKO_04899, Target Efi-510094) with Bound D- Glucuronate within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg404 b:15.0 occ:0.50 O C:HOH515 2.0 12.1 0.5 O C:HOH525 2.0 6.6 0.5 O C:HOH520 2.0 17.3 1.0 OD2 C:ASP73 2.1 10.0 1.0 CG C:ASP73 3.3 13.6 1.0 OG C:SER197 4.1 6.9 1.0 OD1 C:ASP73 4.1 13.6 1.0 CB C:ASP73 4.1 9.0 1.0 OE1 C:GLN76 4.2 11.5 1.0 OE2 C:GLU198 4.4 9.0 1.0 O C:HOH573 4.4 20.8 1.0 NE2 C:GLN76 4.6 24.1 1.0 CD C:GLN76 4.8 11.6 1.0 N C:ASP73 4.8 11.3 1.0

U.Yadava, 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 Trap Periplasmic Solute Binding Protein From Citrobacter Koseri (CKO_04899, Target Efi-510094) with Bound D-Glucuronate To Be Published.