Manganese in PDB 4pca: X-Ray Crystal Structure of An O-Methyltransferase From Anaplasma Phagocytophilum Bound to Sah and Manganese

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

Resolution Low / High (Å)	40.58 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	85.210, 102.760, 103.320, 90.00, 90.00, 90.00
R / Rfree (%)	14.7 / 17.2

The binding sites of Manganese atom in the X-Ray Crystal Structure of An O-Methyltransferase From Anaplasma Phagocytophilum Bound to Sah and Manganese (pdb code 4pca). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the X-Ray Crystal Structure of An O-Methyltransferase From Anaplasma Phagocytophilum Bound to Sah and Manganese, PDB code: 4pca:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the X-Ray Crystal Structure of An O-Methyltransferase From Anaplasma Phagocytophilum Bound to Sah and Manganese


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 Sah and Manganese within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:9.1 occ:1.00 OD1 A:ASP136 2.1 9.8 1.0 OD2 A:ASP162 2.1 8.0 1.0 O A:HOH412 2.2 10.2 1.0 OD1 A:ASN163 2.2 8.2 1.0 O A:HOH443 2.2 13.6 1.0 O A:HOH501 2.2 16.9 1.0 CG A:ASP136 3.1 11.2 1.0 CG A:ASN163 3.1 8.7 1.0 CG A:ASP162 3.1 8.8 1.0 OD2 A:ASP136 3.4 10.1 1.0 ND2 A:ASN163 3.4 9.6 1.0 CB A:ASP162 3.4 8.7 1.0 O A:ALA38 3.8 12.8 1.0 NZ A:LYS139 4.0 11.3 1.0 OD1 A:ASP162 4.3 9.3 1.0 CB A:ASP136 4.5 7.7 1.0 CB A:ASN163 4.5 8.9 1.0 O A:ASP136 4.5 9.9 1.0 C A:ASP162 4.6 7.7 1.0 CA A:ASP162 4.6 7.8 1.0 N A:ASN163 4.7 7.0 1.0 CD2 A:LEU40 4.8 9.0 1.0 CA A:ASP136 4.8 6.6 1.0 CE A:LYS139 4.9 11.5 1.0 C A:ALA38 4.9 11.0 1.0 OH A:TYR142 5.0 9.8 1.0 O A:ASP162 5.0 8.7 1.0

Manganese binding site 2 out of 4 in the X-Ray Crystal Structure of An O-Methyltransferase From Anaplasma Phagocytophilum Bound to Sah and Manganese


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 Sah and Manganese within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn301 b:9.2 occ:1.00 OD1 B:ASP136 2.1 8.8 1.0 OD2 B:ASP162 2.1 9.4 1.0 O B:HOH412 2.2 10.5 1.0 O B:HOH486 2.2 10.3 1.0 OD1 B:ASN163 2.2 9.6 1.0 O B:HOH431 2.3 13.3 1.0 CG B:ASP136 3.1 9.2 1.0 CG B:ASP162 3.1 9.0 1.0 CG B:ASN163 3.2 9.1 1.0 OD2 B:ASP136 3.4 9.7 1.0 ND2 B:ASN163 3.4 9.6 1.0 CB B:ASP162 3.5 8.1 1.0 O B:ALA38 3.7 11.4 1.0 NZ B:LYS139 4.0 12.3 1.0 OD1 B:ASP162 4.2 9.2 1.0 NH1 B:ARG2 4.4 12.2 1.0 NH2 B:ARG2 4.4 11.9 1.0 CB B:ASP136 4.4 9.3 1.0 O B:ASP136 4.5 9.4 1.0 CB B:ASN163 4.5 9.2 1.0 C B:ASP162 4.6 8.5 1.0 CA B:ASP162 4.6 7.9 1.0 CD2 B:LEU40 4.7 9.2 1.0 CA B:ASP136 4.8 7.0 1.0 N B:ASN163 4.8 8.6 1.0 CZ B:ARG2 4.9 11.2 1.0 OH B:TYR142 4.9 8.8 1.0 O B:ASP162 4.9 8.8 1.0 C B:ALA38 4.9 11.2 1.0 C B:ASP136 5.0 9.8 1.0 CE B:LYS139 5.0 13.0 1.0

Manganese binding site 3 out of 4 in the X-Ray Crystal Structure of An O-Methyltransferase From Anaplasma Phagocytophilum Bound to Sah and Manganese


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of X-Ray Crystal Structure of An O-Methyltransferase From Anaplasma Phagocytophilum Bound to Sah and Manganese within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn301 b:9.3 occ:1.00 OD1 C:ASP136 2.1 10.8 1.0 OD2 C:ASP162 2.2 10.1 1.0 O C:HOH407 2.2 10.0 1.0 OD1 C:ASN163 2.2 10.1 1.0 CG C:ASP136 3.1 11.5 1.0 CG C:ASN163 3.1 9.4 1.0 CG C:ASP162 3.1 9.7 1.0 OD2 C:ASP136 3.4 11.0 1.0 ND2 C:ASN163 3.4 9.3 1.0 CB C:ASP162 3.5 11.4 1.0 O C:ALA38 3.7 12.4 1.0 NZ C:LYS139 4.0 14.1 1.0 OD1 C:ASP162 4.3 10.0 1.0 NH1 C:ARG2 4.3 14.8 1.0 NH2 C:ARG2 4.4 12.7 1.0 O C:ASP136 4.4 12.2 1.0 CB C:ASP136 4.5 9.6 1.0 CB C:ASN163 4.5 7.5 1.0 C C:ASP162 4.6 8.5 1.0 CA C:ASP162 4.6 8.7 1.0 CA C:ASP136 4.8 9.1 1.0 N C:ASN163 4.8 8.2 1.0 CD2 C:LEU40 4.8 10.7 1.0 CZ C:ARG2 4.8 13.1 1.0 OH C:TYR142 4.9 11.4 1.0 O C:ASP162 4.9 9.4 1.0 C C:ALA38 4.9 12.5 1.0 C C:ASP136 4.9 11.2 1.0 CE C:LYS139 5.0 14.0 1.0

Manganese binding site 4 out of 4 in the X-Ray Crystal Structure of An O-Methyltransferase From Anaplasma Phagocytophilum Bound to Sah and Manganese


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of X-Ray Crystal Structure of An O-Methyltransferase From Anaplasma Phagocytophilum Bound to Sah and Manganese within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn301 b:10.7 occ:1.00 OD1 D:ASP136 2.1 11.6 1.0 OD2 D:ASP162 2.2 10.6 1.0 O D:HOH421 2.2 22.6 1.0 O D:HOH405 2.2 11.1 1.0 OD1 D:ASN163 2.3 10.3 1.0 O D:HOH450 2.3 16.4 1.0 CG D:ASP136 3.1 10.3 1.0 CG D:ASP162 3.1 10.8 1.0 CG D:ASN163 3.2 10.5 1.0 OD2 D:ASP136 3.3 12.5 1.0 ND2 D:ASN163 3.4 11.8 1.0 CB D:ASP162 3.5 9.8 1.0 O D:ALA38 3.8 14.0 1.0 NZ D:LYS139 4.0 15.3 1.0 OD1 D:ASP162 4.2 10.7 1.0 CB D:ASP136 4.4 8.9 1.0 CB D:ASN163 4.6 9.6 1.0 O D:ASP136 4.6 12.3 1.0 C D:ASP162 4.7 11.1 1.0 CD2 D:LEU40 4.7 11.1 1.0 CA D:ASP162 4.7 8.9 1.0 CA D:ASP136 4.8 9.6 1.0 CE D:LYS139 4.8 20.0 1.0 N D:ASN163 4.8 8.3 1.0 C D:ALA38 5.0 12.5 1.0

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