Magnesium in PDB 4bec: Mutant (K220A) of the Hsdr Subunit of the ECOR124I Restriction Enzyme in Complex with Atp

All present enzymatic activity of Mutant (K220A) of the Hsdr Subunit of the ECOR124I Restriction Enzyme in Complex with Atp:
3.1.21.3;

The structure of Mutant (K220A) of the Hsdr Subunit of the ECOR124I Restriction Enzyme in Complex with Atp, PDB code: 4bec was solved by E.Csefalvay, M.Lapkouski, A.Guzanova, L.Csefalvay, T.Baikova, I.Shevelev, P.Janscak, I.K.Smatanova, S.Panjikar, J.Carey, M.Weiserova, R.Ettrich, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.86 / 2.84
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	86.329, 124.491, 128.761, 90.00, 108.31, 90.00
R / Rfree (%)	23.362 / 28.044

The binding sites of Magnesium atom in the Mutant (K220A) of the Hsdr Subunit of the ECOR124I Restriction Enzyme in Complex with Atp (pdb code 4bec). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Mutant (K220A) of the Hsdr Subunit of the ECOR124I Restriction Enzyme in Complex with Atp, PDB code: 4bec:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Mutant (K220A) of the Hsdr Subunit of the ECOR124I Restriction Enzyme in Complex with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Mutant (K220A) of the Hsdr Subunit of the ECOR124I Restriction Enzyme in Complex with Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1886 b:50.1 occ:1.00 OG1 A:THR314 2.2 27.2 1.0 O1B A:ATP1887 2.3 33.8 1.0 O A:HOH2002 2.4 51.4 1.0 O2G A:ATP1887 2.4 32.0 1.0 O A:HOH2003 2.4 60.1 1.0 PB A:ATP1887 3.6 36.5 1.0 CB A:THR314 3.6 28.6 1.0 PG A:ATP1887 3.7 31.7 1.0 O3B A:ATP1887 3.9 34.0 1.0 OD2 A:ASP408 3.9 48.3 1.0 O2A A:ATP1887 4.2 26.4 1.0 N A:THR314 4.4 31.2 1.0 OD1 A:ASP408 4.4 52.0 1.0 O A:GLY662 4.4 30.6 1.0 CG2 A:THR314 4.5 28.7 1.0 CA A:GLY662 4.5 26.5 1.0 CA A:THR314 4.5 29.4 1.0 CG A:ASP408 4.6 48.8 1.0 O3A A:ATP1887 4.7 31.7 1.0 O1G A:ATP1887 4.7 32.1 1.0 O2B A:ATP1887 4.7 34.5 1.0 PA A:ATP1887 4.8 28.2 1.0 O3G A:ATP1887 4.8 34.8 1.0 NZ A:LYS313 4.9 29.0 1.0 C A:GLY662 5.0 27.7 1.0

Magnesium binding site 2 out of 2 in the Mutant (K220A) of the Hsdr Subunit of the ECOR124I Restriction Enzyme in Complex with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Mutant (K220A) of the Hsdr Subunit of the ECOR124I Restriction Enzyme in Complex with Atp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1886 b:47.2 occ:1.00 OG1 B:THR314 2.2 36.0 1.0 O B:HOH2002 2.3 62.5 1.0 O1B B:ATP1887 2.4 43.6 1.0 O B:HOH2003 2.5 56.1 1.0 O2G B:ATP1887 2.6 41.4 1.0 CB B:THR314 3.6 39.2 1.0 PB B:ATP1887 3.7 44.4 1.0 PG B:ATP1887 3.8 40.2 1.0 OD2 B:ASP408 3.9 34.2 1.0 O3B B:ATP1887 3.9 42.3 1.0 OD1 B:ASP408 4.2 38.2 1.0 O2A B:ATP1887 4.2 32.1 1.0 N B:THR314 4.3 41.3 1.0 O B:GLY662 4.4 28.3 1.0 CG2 B:THR314 4.4 40.3 1.0 CA B:THR314 4.5 39.4 1.0 CA B:GLY662 4.5 27.6 1.0 CG B:ASP408 4.5 38.7 1.0 O1G B:ATP1887 4.6 37.7 1.0 O3A B:ATP1887 4.7 40.7 1.0 O2B B:ATP1887 4.7 44.3 1.0 PA B:ATP1887 4.8 37.8 1.0 C B:GLY662 4.9 28.1 1.0 O1A B:ATP1887 5.0 38.7 1.0

E.Csefalvay, M.Lapkouski, A.Guzanova, L.Csefalvay, T.Baikova, I.Shevelev, P.Janscak, I.K.Smatanova, S.Panjikar, J.Carey, M.Weiserova, R.Ettrich. Mutant (K220A) of the Hsdr Subunit of the ECOR124I To Be Published.