Magnesium in PDB 3uqe: Crystal Structure of the Phosphofructokinase-2 Mutant Y23D From Escherichia Coli

All present enzymatic activity of Crystal Structure of the Phosphofructokinase-2 Mutant Y23D From Escherichia Coli:
2.7.1.11;

The structure of Crystal Structure of the Phosphofructokinase-2 Mutant Y23D From Escherichia Coli, PDB code: 3uqe was solved by H.M.Pereira, A.Caniuguir, M.Baez, R.Cabrera, R.C.Garatt, J.Babul, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.98 / 2.20
Space group	P 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	43.838, 89.123, 175.908, 90.00, 90.00, 90.00
R / Rfree (%)	21.9 / 25.3

The binding sites of Magnesium atom in the Crystal Structure of the Phosphofructokinase-2 Mutant Y23D From Escherichia Coli (pdb code 3uqe). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of the Phosphofructokinase-2 Mutant Y23D From Escherichia Coli, PDB code: 3uqe:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of the Phosphofructokinase-2 Mutant Y23D From Escherichia Coli


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 the Phosphofructokinase-2 Mutant Y23D From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:53.8 occ:1.00 O2B A:ATP401 2.6 24.8 1.0 O A:HOH574 2.7 71.3 1.0 O1G A:ATP401 2.7 28.7 1.0 O1 A:POP404 2.7 33.5 1.0 O4 A:POP404 2.8 37.9 1.0 O5 A:POP404 2.8 54.4 1.0 P2 A:POP404 3.3 36.4 1.0 O1A A:ATP401 3.5 33.0 1.0 O A:HOH519 3.6 24.3 1.0 O A:HOH505 3.6 19.4 1.0 PB A:ATP401 3.7 24.4 1.0 O3B A:ATP401 3.7 27.2 1.0 PG A:ATP401 3.9 22.9 1.0 P1 A:POP404 3.9 23.3 1.0 O A:POP404 4.0 43.2 1.0 ND2 A:ASN187 4.2 19.7 1.0 O A:HOH569 4.6 18.6 1.0 O3A A:ATP401 4.7 29.4 1.0 O2 A:POP404 4.7 34.6 1.0 O6 A:POP404 4.8 89.4 1.0 PA A:ATP401 4.8 21.9 1.0 O3G A:ATP401 4.9 30.0 1.0 O2G A:ATP401 4.9 22.9 1.0 O1B A:ATP401 4.9 41.2 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of the Phosphofructokinase-2 Mutant Y23D From Escherichia Coli


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 the Phosphofructokinase-2 Mutant Y23D From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:57.2 occ:1.00 O1B A:ATP401 2.5 41.2 1.0 O A:HOH568 2.7 21.1 1.0 O A:HOH569 2.7 18.6 1.0 O A:HOH598 2.7 36.8 1.0 O A:HOH570 2.8 71.2 1.0 O A:HOH533 2.9 38.1 1.0 O2G A:ATP401 2.9 22.9 1.0 OD2 A:ASP166 3.2 25.9 1.0 OD1 A:ASP166 3.4 24.7 1.0 OE1 A:GLU190 3.6 28.3 1.0 CG A:ASP166 3.7 27.1 1.0 OE2 A:GLU190 3.8 24.6 1.0 NZ A:LYS185 3.8 20.0 1.0 PB A:ATP401 4.1 24.4 1.0 CD A:GLU190 4.1 23.4 1.0 CE A:LYS185 4.2 20.9 1.0 PG A:ATP401 4.4 22.9 1.0 O A:HOH563 4.4 44.0 1.0 O3B A:ATP401 4.6 27.2 1.0 O2B A:ATP401 4.6 24.8 1.0 O A:LYS185 4.7 18.7 1.0 O1 A:POP404 4.9 33.5 1.0 O A:HOH538 4.9 25.1 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of the Phosphofructokinase-2 Mutant Y23D From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of the Phosphofructokinase-2 Mutant Y23D From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:44.0 occ:1.00 O2G B:ATP404 2.3 39.9 1.0 O1B B:ATP404 2.4 38.3 1.0 O B:HOH553 2.7 42.9 1.0 O B:HOH556 2.7 25.1 1.0 O B:HOH582 2.8 49.4 1.0 O B:HOH554 3.0 33.5 1.0 O B:HOH543 3.3 39.9 1.0 OD1 B:ASP166 3.5 29.2 1.0 OD2 B:ASP166 3.6 30.3 1.0 O B:HOH593 3.7 42.2 1.0 PG B:ATP404 3.7 25.1 1.0 PB B:ATP404 3.7 24.9 1.0 O3B B:ATP404 3.9 37.1 1.0 CG B:ASP166 4.0 28.4 1.0 O B:HOH536 4.0 47.0 1.0 NZ B:LYS185 4.2 22.7 1.0 CE B:LYS185 4.3 22.4 1.0 CA B:GLY255 4.4 19.1 1.0 OE1 B:GLU190 4.4 28.2 1.0 O2B B:ATP404 4.6 23.0 1.0 OD2 B:ASP256 4.6 29.8 1.0 O3G B:ATP404 4.7 28.7 1.0 O B:HOH612 4.7 37.0 1.0 O1G B:ATP404 4.7 31.4 1.0 OE2 B:GLU190 4.8 21.9 1.0 O4 B:POP402 4.9 31.7 1.0 O3A B:ATP404 4.9 36.1 1.0 C B:GLY255 4.9 21.9 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of the Phosphofructokinase-2 Mutant Y23D From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of the Phosphofructokinase-2 Mutant Y23D From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg403 b:63.5 occ:1.00 O3 B:POP402 2.9 46.1 1.0 O2B B:ATP404 2.9 23.0 1.0 O1 B:POP402 3.0 22.0 1.0 O B:HOH591 3.0 25.7 1.0 O4 B:POP402 3.0 31.7 1.0 P1 B:POP402 3.4 31.9 1.0 ND2 B:ASN187 3.4 24.9 1.0 O6 B:POP402 3.6 35.1 1.0 P2 B:POP402 3.7 27.3 1.0 O1G B:ATP404 3.9 31.4 1.0 O B:POP402 4.0 39.2 1.0 O1A B:ATP404 4.0 25.1 1.0 O B:HOH600 4.1 36.5 1.0 PB B:ATP404 4.4 24.9 1.0 CG B:ASN187 4.5 28.1 1.0 CB B:ASN187 4.9 18.5 1.0 O B:HOH554 4.9 33.5 1.0 O2 B:POP402 4.9 37.5 1.0

H.M.Pereira, A.Caniuguir, M.Baez, R.Cabrera, R.C.Garratt, J.Babul. Structure of E. Coli PFK2 Mutant Y23D To Be Published.