Magnesium in PDB 3nuh: A Domain Insertion in E. Coli Gyrb Adopts A Novel Fold That Plays A Critical Role in Gyrase Function

All present enzymatic activity of A Domain Insertion in E. Coli Gyrb Adopts A Novel Fold That Plays A Critical Role in Gyrase Function:
5.99.1.3;

The structure of A Domain Insertion in E. Coli Gyrb Adopts A Novel Fold That Plays A Critical Role in Gyrase Function, PDB code: 3nuh was solved by A.J.Schoeffler, A.P.May, J.M.Berger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.60 / 3.10
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	108.062, 147.493, 138.870, 90.00, 90.00, 90.00
R / Rfree (%)	23.4 / 28.2

The binding sites of Magnesium atom in the A Domain Insertion in E. Coli Gyrb Adopts A Novel Fold That Plays A Critical Role in Gyrase Function (pdb code 3nuh). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the A Domain Insertion in E. Coli Gyrb Adopts A Novel Fold That Plays A Critical Role in Gyrase Function, PDB code: 3nuh:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the A Domain Insertion in E. Coli Gyrb Adopts A Novel Fold That Plays A Critical Role in Gyrase Function


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of A Domain Insertion in E. Coli Gyrb Adopts A Novel Fold That Plays A Critical Role in Gyrase Function within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg526 b:56.2 occ:1.00 O A:MSE301 4.0 67.0 1.0 CB A:HIS262 4.2 64.6 1.0 O A:HIS262 4.2 63.3 1.0 N A:MSE301 4.4 60.1 1.0 CA A:HIS262 4.5 60.9 1.0 CA A:GLY300 4.6 50.2 1.0 O A:ASP299 4.8 66.7 1.0 C A:HIS262 4.8 59.3 1.0 C A:GLY300 4.9 50.1 1.0 CG A:HIS262 4.9 73.2 1.0 ND1 A:HIS262 4.9 72.8 1.0 C A:MSE301 5.0 66.6 1.0

Magnesium binding site 2 out of 2 in the A Domain Insertion in E. Coli Gyrb Adopts A Novel Fold That Plays A Critical Role in Gyrase Function


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of A Domain Insertion in E. Coli Gyrb Adopts A Novel Fold That Plays A Critical Role in Gyrase Function within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg527 b:60.7 occ:1.00 CG A:HIS80 4.4 47.5 1.0 OD2 B:ASP502 4.4 91.0 1.0 CD2 A:HIS80 4.4 43.0 1.0 NE2 A:HIS78 4.6 37.1 1.0 CZ A:ARG32 4.6 0.9 1.0 NH1 A:ARG32 4.6 99.2 1.0 CB A:HIS80 4.7 46.3 1.0 NE A:ARG32 4.7 0.9 1.0 ND1 A:HIS80 4.7 46.1 1.0 NE2 A:HIS80 4.8 41.5 1.0 CD A:ARG32 4.8 97.2 1.0 CE1 A:HIS80 5.0 45.9 1.0

A.J.Schoeffler, A.P.May, J.M.Berger. A Domain Insertion in Escherichia Coli Gyrb Adopts A Novel Fold That Plays A Critical Role in Gyrase Function. Nucleic Acids Res. V. 38 7830 2010.
ISSN: ISSN 0305-1048
PubMed: 20675723
DOI: 10.1093/NAR/GKQ665