Magnesium in PDB 3nyq: Malonyl-Coa Ligase Ternary Product Complex with Methylmalonyl-Coa and Amp Bound

The structure of Malonyl-Coa Ligase Ternary Product Complex with Methylmalonyl-Coa and Amp Bound, PDB code: 3nyq was solved by A.J.Hughes, A.T.Keatinge-Clay, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	76.70 / 1.43
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	73.376, 86.786, 153.391, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 21.6

The structure of Malonyl-Coa Ligase Ternary Product Complex with Methylmalonyl-Coa and Amp Bound also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the Malonyl-Coa Ligase Ternary Product Complex with Methylmalonyl-Coa and Amp Bound (pdb code 3nyq). 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 Malonyl-Coa Ligase Ternary Product Complex with Methylmalonyl-Coa and Amp Bound, PDB code: 3nyq:

Magnesium binding site 1 out of 1 in the Malonyl-Coa Ligase Ternary Product Complex with Methylmalonyl-Coa and Amp Bound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Malonyl-Coa Ligase Ternary Product Complex with Methylmalonyl-Coa and Amp Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg499 b:12.7 occ:1.00 O A:HOH838 2.0 19.7 1.0 O A:HOH839 2.0 19.1 1.0 O A:HOH842 2.1 26.2 1.0 O A:HOH841 2.1 22.2 1.0 O A:HOH840 2.1 26.0 1.0 O A:HOH662 4.0 28.6 1.0 O A:HOH870 4.1 27.3 1.0 OE1 A:GLU402 4.2 18.9 1.0 OE2 A:GLU402 4.3 15.6 1.0 O A:HOH752 4.4 33.9 1.0 O A:HOH578 4.4 21.5 1.0 O A:HOH873 4.6 28.4 1.0 O A:THR146 4.6 17.1 1.0 CD A:GLU402 4.7 14.2 1.0 CG2 A:THR147 4.8 26.3 1.0 CB A:ALA398 4.9 15.8 1.0

A.J.Hughes, A.Keatinge-Clay. Enzymatic Extender Unit Generation For in Vitro Polyketide Synthase Reactions: Structural and Functional Showcasing of Streptomyces Coelicolor Matb. Chem.Biol. V. 18 165 2011.
ISSN: ISSN 1074-5521
PubMed: 21338915
DOI: 10.1016/J.CHEMBIOL.2010.12.014