Magnesium in PDB 9dwp: Crystal Structure of C4-Dicarboxylate-Binding Protein (PA0884) of Tripartite Atp-Independent Periplasmic Transporter Family From Pseudomonas Aeruginosa PAO1 in Complex with Mesaconic Acid

The structure of Crystal Structure of C4-Dicarboxylate-Binding Protein (PA0884) of Tripartite Atp-Independent Periplasmic Transporter Family From Pseudomonas Aeruginosa PAO1 in Complex with Mesaconic Acid, PDB code: 9dwp was solved by G.Minasov, S.Shukla, L.Shuvalova, K.J.F.Satchell, Center For Structuralbiology Of Infectious Diseases (Csbid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.70 / 1.32
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.52, 67.2, 60.469, 90, 106.47, 90
R / Rfree (%)	15.8 / 17.7

The structure of Crystal Structure of C4-Dicarboxylate-Binding Protein (PA0884) of Tripartite Atp-Independent Periplasmic Transporter Family From Pseudomonas Aeruginosa PAO1 in Complex with Mesaconic Acid also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of C4-Dicarboxylate-Binding Protein (PA0884) of Tripartite Atp-Independent Periplasmic Transporter Family From Pseudomonas Aeruginosa PAO1 in Complex with Mesaconic Acid (pdb code 9dwp). 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 C4-Dicarboxylate-Binding Protein (PA0884) of Tripartite Atp-Independent Periplasmic Transporter Family From Pseudomonas Aeruginosa PAO1 in Complex with Mesaconic Acid, PDB code: 9dwp:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of C4-Dicarboxylate-Binding Protein (PA0884) of Tripartite Atp-Independent Periplasmic Transporter Family From Pseudomonas Aeruginosa PAO1 in Complex with Mesaconic Acid


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 C4-Dicarboxylate-Binding Protein (PA0884) of Tripartite Atp-Independent Periplasmic Transporter Family From Pseudomonas Aeruginosa PAO1 in Complex with Mesaconic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:19.9 occ:1.00 O A:HOH576 2.1 19.6 1.0 O A:HOH893 2.1 25.1 1.0 O A:HOH598 2.2 15.6 1.0 O A:HOH702 4.0 26.1 1.0 OE2 A:GLU53 4.1 11.2 1.0 O A:HOH555 4.2 11.5 1.0 OE1 A:GLU53 4.3 11.1 1.0 CD A:GLU53 4.3 10.3 1.0 O A:HOH699 4.4 14.7 0.6 CG A:GLU61 4.9 9.9 1.0 CD A:GLU61 4.9 11.3 1.0 NZ A:LYS49 4.9 9.0 1.0 OE2 A:GLU61 4.9 15.0 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of C4-Dicarboxylate-Binding Protein (PA0884) of Tripartite Atp-Independent Periplasmic Transporter Family From Pseudomonas Aeruginosa PAO1 in Complex with Mesaconic Acid


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 C4-Dicarboxylate-Binding Protein (PA0884) of Tripartite Atp-Independent Periplasmic Transporter Family From Pseudomonas Aeruginosa PAO1 in Complex with Mesaconic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:20.0 occ:0.50 O A:HOH776 2.1 25.8 1.0 O A:HOH664 2.1 17.4 1.0 O A:HOH838 2.2 24.7 0.5 O A:HOH516 3.8 24.1 0.5 O A:HOH666 4.0 17.3 1.0 O A:HOH503 4.2 25.1 1.0 O A:HOH578 4.3 12.0 1.0 O A:HOH897 4.4 29.4 1.0 O A:ASN67 4.5 7.1 1.0 OE1 A:GLN217 4.6 12.4 1.0 CB A:ASN67 4.8 8.4 1.0 O A:ALA193 4.8 9.0 1.0 O A:HOH696 4.9 17.4 1.0 CB A:ALA193 4.9 7.5 1.0 OD1 A:ASN67 4.9 10.9 1.0

G.Minasov, S.Shukla, L.Shuvalova, K.J.F.Satchell, Center For Structural Biology Of Infectious Diseases (Csbid). Crystal Structure of C4-Dicarboxylate-Binding Protein (PA0884) of Tripartite Atp-Independent Periplasmic Transporter Family From Pseudomonas Aeruginosa PAO1 in Complex with Mesaconic Acid To Be Published.