Manganese in PDB 4pcl: X-Ray Crystal Structure of An O-Methyltransferase From Anaplasma Phagocytophilum Bound to Sam and A Manganese Ion.

The structure of X-Ray Crystal Structure of An O-Methyltransferase From Anaplasma Phagocytophilum Bound to Sam and A Manganese Ion., PDB code: 4pcl was solved by J.W.Fairman, T.E.Edwards, D.Lorimer, Seattle Structural Genomics Centerfor Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.84 / 1.85
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	123.870, 123.870, 121.310, 90.00, 90.00, 120.00
R / Rfree (%)	17 / 20.9

The binding sites of Manganese atom in the X-Ray Crystal Structure of An O-Methyltransferase From Anaplasma Phagocytophilum Bound to Sam and A Manganese Ion. (pdb code 4pcl). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the X-Ray Crystal Structure of An O-Methyltransferase From Anaplasma Phagocytophilum Bound to Sam and A Manganese Ion., PDB code: 4pcl:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the X-Ray Crystal Structure of An O-Methyltransferase From Anaplasma Phagocytophilum Bound to Sam and A Manganese Ion.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of X-Ray Crystal Structure of An O-Methyltransferase From Anaplasma Phagocytophilum Bound to Sam and A Manganese Ion. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn303 b:22.6 occ:1.00 OD1 A:ASP136 2.1 29.0 1.0 O A:HOH419 2.2 26.4 1.0 OD1 A:ASN163 2.2 23.7 1.0 OD2 A:ASP162 2.2 21.3 1.0 CG A:ASN163 3.1 26.5 1.0 CG A:ASP162 3.2 21.2 1.0 CG A:ASP136 3.2 27.7 1.0 ND2 A:ASN163 3.3 21.9 1.0 CB A:ASP162 3.5 21.7 1.0 OD2 A:ASP136 3.6 28.1 1.0 NZ A:LYS139 3.9 28.4 1.0 O A:ALA38 4.0 32.3 1.0 O A:HOH416 4.1 25.2 1.0 CE A:SAM301 4.2 34.4 1.0 OD1 A:ASP162 4.2 21.2 1.0 CB A:ASN163 4.5 20.5 1.0 CB A:ASP136 4.5 24.1 1.0 O A:HOH442 4.5 33.1 1.0 C A:ASP162 4.6 19.1 1.0 CA A:ASP162 4.7 19.9 1.0 CD2 A:LEU40 4.7 26.1 1.0 N A:ASN163 4.7 19.6 1.0 CA A:ASP136 4.9 21.6 1.0 O A:ASP136 4.9 23.5 1.0 CE A:LYS139 5.0 28.4 1.0

Manganese binding site 2 out of 2 in the X-Ray Crystal Structure of An O-Methyltransferase From Anaplasma Phagocytophilum Bound to Sam and A Manganese Ion.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of X-Ray Crystal Structure of An O-Methyltransferase From Anaplasma Phagocytophilum Bound to Sam and A Manganese Ion. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn307 b:19.2 occ:1.00 OD1 B:ASP136 2.1 20.7 1.0 OD2 B:ASP162 2.2 20.3 1.0 O B:HOH411 2.2 19.0 1.0 OD1 B:ASN163 2.2 18.1 1.0 CG B:ASP162 3.1 18.9 1.0 CG B:ASP136 3.1 22.9 1.0 CG B:ASN163 3.2 21.5 1.0 OD2 B:ASP136 3.5 20.3 1.0 ND2 B:ASN163 3.5 22.9 1.0 CB B:ASP162 3.5 19.6 1.0 O B:ALA38 3.9 24.3 1.0 O B:HOH440 4.0 21.9 1.0 O B:HOH420 4.1 19.8 1.0 OD1 B:ASP162 4.2 18.4 1.0 CE B:SAM301 4.3 24.2 1.0 CB B:ASP136 4.6 17.6 1.0 CB B:ASN163 4.6 20.0 1.0 CD2 B:LEU40 4.6 16.0 1.0 O B:HOH433 4.6 26.9 1.0 C B:ASP162 4.7 16.9 1.0 CA B:ASP162 4.7 16.7 1.0 N B:ASN163 4.7 16.4 1.0 CA B:ASP136 5.0 17.8 1.0

J.W.Fairman, T.E.Edwards, D.Lorimer. X-Ray Crystal Structure of An O-Methyltransferase From Anaplasma Phagocytophilum Bound to Sam and A Manganese Ion. To Be Published.