Manganese in PDB 2ns6: Crystal Structure of the Minimal Relaxase Domain of Moba From Plasmid R1162

The structure of Crystal Structure of the Minimal Relaxase Domain of Moba From Plasmid R1162, PDB code: 2ns6 was solved by A.F.Monzingo, A.Ozburn, S.Xia, R.J.Meyer, J.D.Robertus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.10
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	47.967, 47.967, 165.927, 90.00, 90.00, 90.00
R / Rfree (%)	23.8 / 28.7

The binding sites of Manganese atom in the Crystal Structure of the Minimal Relaxase Domain of Moba From Plasmid R1162 (pdb code 2ns6). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 3 binding sites of Manganese where determined in the Crystal Structure of the Minimal Relaxase Domain of Moba From Plasmid R1162, PDB code: 2ns6:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in the Crystal Structure of the Minimal Relaxase Domain of Moba From Plasmid R1162


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 Minimal Relaxase Domain of Moba From Plasmid R1162 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1001 b:24.0 occ:1.00 NE2 A:HIS120 2.3 23.4 1.0 ND1 A:HIS112 2.4 11.7 1.0 O A:HOH1024 2.4 25.1 1.0 NE2 A:HIS122 2.4 12.4 1.0 CD2 A:HIS120 3.1 21.7 1.0 CD2 A:HIS122 3.1 13.8 1.0 CE1 A:HIS112 3.3 12.0 1.0 CE1 A:HIS120 3.4 24.4 1.0 CG A:HIS112 3.4 12.8 1.0 CE1 A:HIS122 3.5 15.1 1.0 CB A:HIS112 3.7 15.8 1.0 CG A:HIS120 4.3 22.6 1.0 CG A:HIS122 4.4 15.3 1.0 ND1 A:HIS120 4.4 22.9 1.0 NE2 A:HIS112 4.4 11.9 1.0 OE1 A:GLU38 4.4 20.5 1.0 ND1 A:HIS122 4.5 15.9 1.0 CD2 A:HIS112 4.5 12.8 1.0

Manganese binding site 2 out of 3 in the Crystal Structure of the Minimal Relaxase Domain of Moba From Plasmid R1162


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 Minimal Relaxase Domain of Moba From Plasmid R1162 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1002 b:35.5 occ:1.00 NE2 A:HIS46 2.4 12.4 1.0 O A:HOH1025 2.5 20.1 1.0 OE1 A:GLN97 2.6 20.9 1.0 CD2 A:HIS46 3.2 10.1 1.0 CE1 A:HIS46 3.5 9.3 1.0 CD A:GLN97 3.6 21.8 1.0 O A:HOH1029 3.8 19.8 1.0 NE2 A:GLN97 4.0 16.7 1.0 CA A:GLY101 4.3 12.7 1.0 CG A:HIS46 4.4 8.7 1.0 O A:GLY101 4.5 17.6 1.0 ND1 A:HIS46 4.5 10.0 1.0 O A:HOH1107 4.7 28.2 1.0 CG A:ARG104 4.7 15.7 1.0 NE A:ARG104 4.7 14.9 1.0 C A:GLY101 4.9 15.5 1.0 CG A:GLN97 4.9 19.1 1.0 O A:HOH1017 4.9 15.5 1.0

Manganese binding site 3 out of 3 in the Crystal Structure of the Minimal Relaxase Domain of Moba From Plasmid R1162


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of the Minimal Relaxase Domain of Moba From Plasmid R1162 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1003 b:69.7 occ:1.00 ND1 A:HIS98 2.5 17.9 1.0 NE2 A:HIS176 3.2 22.6 1.0 CE1 A:HIS176 3.2 20.0 1.0 CG A:HIS98 3.3 17.1 1.0 CE1 A:HIS98 3.4 19.4 1.0 CB A:HIS98 3.6 15.8 1.0 CA A:HIS98 4.2 15.8 1.0 CD2 A:HIS98 4.5 17.2 1.0 NE2 A:HIS98 4.5 21.9 1.0 ND1 A:HIS176 4.5 23.1 1.0 CD2 A:HIS176 4.5 19.3 1.0 N A:HIS98 5.0 14.6 1.0

A.F.Monzingo, A.Ozburn, S.Xia, R.J.Meyer, J.D.Robertus. The Structure of the Minimal Relaxase Domain of Moba at 2.1 A Resolution. J.Mol.Biol. V. 366 165 2007.
ISSN: ISSN 0022-2836
PubMed: 17157875
DOI: 10.1016/J.JMB.2006.11.031