Magnesium in PDB 2q7t: Crystal Structure of the F Plasmid Trai Relaxase Domain with the Scissile Thymidine Base

The structure of Crystal Structure of the F Plasmid Trai Relaxase Domain with the Scissile Thymidine Base, PDB code: 2q7t was solved by S.A.Lujan, M.R.Redinbo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.13 / 2.42
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.888, 88.259, 127.293, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 27

The binding sites of Magnesium atom in the Crystal Structure of the F Plasmid Trai Relaxase Domain with the Scissile Thymidine Base (pdb code 2q7t). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the F Plasmid Trai Relaxase Domain with the Scissile Thymidine Base, PDB code: 2q7t:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the F Plasmid Trai Relaxase Domain with the Scissile Thymidine Base


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 F Plasmid Trai Relaxase Domain with the Scissile Thymidine Base within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg5001 b:48.7 occ:1.00 NE2 A:HIS159 2.5 25.5 1.0 NE2 A:HIS157 2.7 24.5 1.0 ND1 A:HIS146 2.8 22.8 1.0 CE1 A:HIS159 3.3 25.8 1.0 CZ A:PHE16 3.5 28.2 1.0 CD2 A:HIS157 3.6 25.1 1.0 CD2 A:HIS159 3.6 21.8 1.0 CG A:HIS146 3.6 22.2 1.0 CB A:HIS146 3.7 20.2 1.0 CE1 A:HIS157 3.8 24.5 1.0 CE1 A:HIS146 3.8 18.6 1.0 CE2 A:PHE16 4.2 30.1 1.0 O A:HOH6092 4.4 47.1 1.0 O A:THR148 4.5 31.4 1.0 CE1 A:PHE16 4.5 29.5 1.0 ND1 A:HIS159 4.5 24.0 1.0 CG A:HIS159 4.7 22.6 1.0 CG A:HIS157 4.8 25.5 1.0 CD2 A:HIS146 4.8 18.8 1.0 ND1 A:HIS157 4.9 26.8 1.0 NE2 A:HIS146 4.9 19.6 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the F Plasmid Trai Relaxase Domain with the Scissile Thymidine Base


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 F Plasmid Trai Relaxase Domain with the Scissile Thymidine Base within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg5002 b:47.9 occ:1.00 NE2 B:HIS1159 2.5 37.7 1.0 NE2 B:HIS1157 2.6 28.8 1.0 ND1 B:HIS1146 2.8 29.4 1.0 O3' B:TMP2001 3.2 0.5 1.0 CD2 B:HIS1159 3.4 33.9 1.0 CD2 B:HIS1157 3.5 26.1 1.0 CE1 B:HIS1159 3.5 36.4 1.0 CG B:HIS1146 3.6 29.2 1.0 CB B:HIS1146 3.6 30.6 1.0 O B:HOH6002 3.6 58.8 1.0 CE1 B:HIS1157 3.7 26.8 1.0 CE1 B:HIS1146 3.8 29.9 1.0 CZ B:PHE1016 3.9 43.9 1.0 C3' B:TMP2001 4.3 0.8 1.0 C2' B:TMP2001 4.4 0.5 1.0 O B:HOH6016 4.4 36.6 1.0 ND1 B:HIS1159 4.6 36.1 1.0 CG B:HIS1159 4.6 33.2 1.0 CG B:HIS1157 4.7 26.8 1.0 CE2 B:PHE1016 4.7 43.1 1.0 CE1 B:PHE1016 4.7 44.4 1.0 ND1 B:HIS1157 4.7 29.1 1.0 CD2 B:HIS1146 4.8 28.9 1.0 NE2 B:HIS1146 4.8 29.9 1.0 O B:THR1148 4.9 46.6 1.0

S.A.Lujan, L.M.Guogas, H.Ragonese, S.W.Matson, M.R.Redinbo. Disrupting Antibiotic Resistance Propagation By Inhibiting the Conjugative Dna Relaxase. Proc.Natl.Acad.Sci.Usa V. 104 12282 2007.
ISSN: ISSN 0027-8424
PubMed: 17630285
DOI: 10.1073/PNAS.0702760104