Manganese in PDB 3l57: Crystal Structure of the Plasmid PCU1 Trai Relaxase Domain

The structure of Crystal Structure of the Plasmid PCU1 Trai Relaxase Domain, PDB code: 3l57 was solved by M.R.Redinbo, R.P.Nash, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.49 / 2.29
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.280, 58.520, 87.120, 90.00, 83.88, 90.00
R / Rfree (%)	17.3 / 22.6

The binding sites of Manganese atom in the Crystal Structure of the Plasmid PCU1 Trai Relaxase Domain (pdb code 3l57). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of the Plasmid PCU1 Trai Relaxase Domain, PDB code: 3l57:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of the Plasmid PCU1 Trai Relaxase Domain


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of the Plasmid PCU1 Trai Relaxase Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn300 b:28.6 occ:1.00 NE2 A:HIS162 2.1 25.6 1.0 NE2 A:HIS160 2.1 26.4 1.0 O5 A:CIT321 2.2 52.0 1.0 ND1 A:HIS149 2.2 38.8 1.0 O7 A:CIT321 2.2 44.5 1.0 O3 A:CIT321 3.0 64.4 1.0 C6 A:CIT321 3.0 51.2 1.0 CD2 A:HIS162 3.0 25.2 1.0 CE1 A:HIS149 3.0 39.7 1.0 C3 A:CIT321 3.1 48.3 1.0 CD2 A:HIS160 3.1 26.2 1.0 CE1 A:HIS160 3.1 36.0 1.0 CE1 A:HIS162 3.1 25.2 1.0 CG A:HIS149 3.2 41.9 1.0 CB A:HIS149 3.6 36.3 1.0 C5 A:CIT321 3.9 65.1 1.0 C4 A:CIT321 4.1 56.7 1.0 O6 A:CIT321 4.1 49.9 1.0 CG A:HIS162 4.2 24.6 1.0 C2 A:CIT321 4.2 49.5 0.5 NE2 A:HIS149 4.2 44.0 1.0 ND1 A:HIS162 4.2 24.6 1.0 ND1 A:HIS160 4.2 31.1 1.0 O A:HOH410 4.3 51.7 1.0 CG A:HIS160 4.3 26.3 1.0 CD2 A:HIS149 4.3 45.3 1.0 O1 A:CIT321 4.3 55.6 1.0 C1 A:CIT321 4.7 54.3 0.5 O4 A:CIT321 4.9 67.0 0.5

Manganese binding site 2 out of 2 in the Crystal Structure of the Plasmid PCU1 Trai Relaxase Domain


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of the Plasmid PCU1 Trai Relaxase Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn300 b:47.3 occ:1.00 ND1 B:HIS149 2.2 73.8 1.0 NE2 B:HIS162 2.3 44.7 1.0 NE2 B:HIS160 2.4 41.7 1.0 CD2 B:HIS162 2.9 39.5 1.0 CE1 B:HIS149 3.1 77.8 1.0 O B:HOH355 3.1 70.2 1.0 CD2 B:HIS160 3.1 40.7 1.0 CG B:HIS149 3.2 74.0 1.0 CE1 B:HIS162 3.5 44.9 1.0 CE1 B:HIS160 3.5 45.5 1.0 CB B:HIS149 3.6 73.2 0.8 CG B:HIS162 4.2 40.4 1.0 NE2 B:HIS149 4.2 78.9 1.0 CD2 B:HIS149 4.3 74.9 1.0 CG B:HIS160 4.3 41.2 1.0 ND1 B:HIS162 4.4 42.7 1.0 ND1 B:HIS160 4.5 44.4 1.0 O B:HOH319 4.9 50.6 0.8

R.P.Nash, S.Habibi, Y.Cheng, S.A.Lujan, M.R.Redinbo. The Mechanism and Control of Dna Transfer By the Conjugative Relaxase of Resistance Plasmid PCU1. Nucleic Acids Res. V. 38 5929 2010.
ISSN: ISSN 0305-1048
PubMed: 20448025
DOI: 10.1093/NAR/GKQ303