Magnesium in PDB 4aff: High Resolution Structure of A Pii Mutant (I86N) Protein in Complex with Atp, Mg and Flc

The structure of High Resolution Structure of A Pii Mutant (I86N) Protein in Complex with Atp, Mg and Flc, PDB code: 4aff was solved by K.Zeth, O.Fokina, V.R.Chellamuthu, K.Forchhammer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	137 / 1.05
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	62.087, 62.087, 51.116, 90.00, 90.00, 120.00
R / Rfree (%)	12 / 14

The binding sites of Magnesium atom in the High Resolution Structure of A Pii Mutant (I86N) Protein in Complex with Atp, Mg and Flc (pdb code 4aff). 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 High Resolution Structure of A Pii Mutant (I86N) Protein in Complex with Atp, Mg and Flc, PDB code: 4aff:

Magnesium binding site 1 out of 1 in the High Resolution Structure of A Pii Mutant (I86N) Protein in Complex with Atp, Mg and Flc


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of High Resolution Structure of A Pii Mutant (I86N) Protein in Complex with Atp, Mg and Flc within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1118 b:6.1 occ:1.00 O3G A:ATP1117 2.0 6.5 1.0 OHB A:FLC1119 2.1 6.6 1.0 O2A A:ATP1117 2.1 5.8 1.0 O1B A:ATP1117 2.1 6.5 1.0 OB1 A:FLC1119 2.1 8.4 1.0 OG2 A:FLC1119 2.1 7.7 1.0 CBC A:FLC1119 2.8 8.3 1.0 CB A:FLC1119 2.9 7.2 1.0 CGC A:FLC1119 3.1 8.4 1.0 PB A:ATP1117 3.1 5.8 1.0 PA A:ATP1117 3.2 5.2 1.0 PG A:ATP1117 3.3 6.0 1.0 O3A A:ATP1117 3.5 5.5 1.0 CG A:FLC1119 3.5 8.1 1.0 O3B A:ATP1117 3.6 6.7 1.0 N A:GLY87 3.8 2.8 1.0 O A:HOH2061 3.9 10.4 1.0 O1G A:ATP1117 4.0 7.4 1.0 OB2 A:FLC1119 4.1 11.8 1.0 N A:ARG38 4.1 13.4 1.0 O1A A:ATP1117 4.1 6.2 1.0 OG1 A:FLC1119 4.2 11.4 1.0 O A:HOH2130 4.2 5.3 1.0 CA A:GLY87 4.2 2.7 1.0 CA A:FLC1119 4.3 8.1 1.0 CA A:GLY37 4.3 6.0 1.0 CB A:ASN86 4.4 4.3 1.0 O5' A:ATP1117 4.4 5.5 1.0 OA2 A:FLC1119 4.5 8.2 1.0 O2G A:ATP1117 4.5 7.0 1.0 O2B A:ATP1117 4.5 6.7 1.0 C A:ASN86 4.5 2.8 1.0 C A:GLY37 4.5 7.8 1.0 N A:GLN39 4.6 21.1 1.0 N A:GLY37 4.7 5.2 1.0 CA A:ASN86 4.8 2.8 1.0 CAC A:FLC1119 4.9 8.1 1.0 CA A:ARG38 5.0 15.2 1.0

K.Zeth, O.Fokina, K.Forchhammer. An Engineered Pii Protein Variant That Senses A Novel Ligand: Atomic Resolution Structure of the Complex with Citrate. Acta Crystallogr.,Sect.D V. 68 901 2012.
ISSN: ISSN 0907-4449
PubMed: 22868755
DOI: 10.1107/S0907444912016447