Magnesium in PDB 4pu9: E. Coli Gyrb 43-kDa N-Terminal Fragment in Complex with Adp-BEF3

All present enzymatic activity of E. Coli Gyrb 43-kDa N-Terminal Fragment in Complex with Adp-BEF3:
5.99.1.3;

The structure of E. Coli Gyrb 43-kDa N-Terminal Fragment in Complex with Adp-BEF3, PDB code: 4pu9 was solved by F.V.Stanger, T.Schirmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.08 / 2.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	88.083, 143.245, 79.895, 90.00, 90.00, 90.00
R / Rfree (%)	21.9 / 27.3

The structure of E. Coli Gyrb 43-kDa N-Terminal Fragment in Complex with Adp-BEF3 also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Magnesium atom in the E. Coli Gyrb 43-kDa N-Terminal Fragment in Complex with Adp-BEF3 (pdb code 4pu9). 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 E. Coli Gyrb 43-kDa N-Terminal Fragment in Complex with Adp-BEF3, PDB code: 4pu9:

Magnesium binding site 1 out of 1 in the E. Coli Gyrb 43-kDa N-Terminal Fragment in Complex with Adp-BEF3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of E. Coli Gyrb 43-kDa N-Terminal Fragment in Complex with Adp-BEF3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:28.2 occ:1.00 OD1 A:ASN46 2.2 27.2 1.0 F3 A:BEF402 2.2 29.7 1.0 O2B A:ADP401 2.3 27.6 1.0 O A:HOH507 2.3 28.5 1.0 O1A A:ADP401 2.3 30.6 1.0 CG A:ASN46 2.9 26.9 1.0 ND2 A:ASN46 3.0 31.6 1.0 PB A:ADP401 3.2 27.3 1.0 O3A A:ADP401 3.2 26.7 1.0 PA A:ADP401 3.2 29.9 1.0 BE A:BEF402 3.5 29.8 1.0 O3B A:ADP401 3.6 29.8 1.0 NZ A:LYS103 3.9 29.6 1.0 O5' A:ADP401 4.1 32.5 1.0 O A:HOH548 4.3 44.8 1.0 CB A:ASN46 4.3 28.7 1.0 F1 A:BEF402 4.4 28.8 1.0 CA A:GLY114 4.4 22.6 1.0 O A:GLU42 4.5 38.9 1.0 F2 A:BEF402 4.5 27.7 1.0 O2A A:ADP401 4.5 30.4 1.0 CA A:GLY119 4.6 31.3 1.0 O1B A:ADP401 4.6 26.7 1.0 N A:GLY119 4.6 30.9 1.0 OE2 A:GLU42 4.7 27.7 1.0 CA A:ASN46 4.8 26.1 1.0 N A:VAL120 4.8 31.8 1.0 N A:ASN46 4.9 26.0 1.0

F.V.Stanger, C.Dehio, T.Schirmer. Structure of the N-Terminal Gyrase B Fragment in Complex with Adppi Reveals Rigid-Body Motion Induced By Atp Hydrolysis Plos One V. 9 07289 2014.
ISSN: ESSN 1932-6203
PubMed: 25202966
DOI: 10.1371/JOURNAL.PONE.0107289