Manganese in PDB 5x4i: Pyrococcus Furiosus Recj (D83A, Mn-Soaking)

The structure of Pyrococcus Furiosus Recj (D83A, Mn-Soaking), PDB code: 5x4i was solved by M.J.Li, G.S.Yi, F.Yu, H.Zhou, J.N.Chen, C.Y.Xu, F.P.Wang, X.Xiao, J.H.He, X.P.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.36 / 2.09
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.576, 67.151, 60.274, 90.00, 112.39, 90.00
R / Rfree (%)	17.4 / 21

The structure of Pyrococcus Furiosus Recj (D83A, Mn-Soaking) also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Manganese atom in the Pyrococcus Furiosus Recj (D83A, Mn-Soaking) (pdb code 5x4i). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Pyrococcus Furiosus Recj (D83A, Mn-Soaking), PDB code: 5x4i:

Manganese binding site 1 out of 1 in the Pyrococcus Furiosus Recj (D83A, Mn-Soaking)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Pyrococcus Furiosus Recj (D83A, Mn-Soaking) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn501 b:42.9 occ:1.00 O A:HOH692 2.2 26.4 1.0 O A:HOH628 2.3 32.5 1.0 OD2 A:ASP165 2.4 36.9 1.0 NE2 A:HIS106 2.4 23.2 1.0 OD2 A:ASP36 2.4 25.0 1.0 O A:HOH662 2.7 33.0 1.0 CG A:ASP165 3.2 31.1 1.0 O A:HOH747 3.2 39.5 1.0 CD2 A:HIS106 3.3 23.1 1.0 OD1 A:ASP165 3.4 33.7 1.0 CE1 A:HIS106 3.4 21.7 1.0 CG A:ASP36 3.5 22.9 1.0 CB A:ASP36 3.9 21.8 1.0 NE2 A:HIS107 3.9 34.8 1.0 N A:GLY136 4.4 19.8 1.0 CD2 A:HIS107 4.5 32.8 1.0 ND1 A:HIS106 4.5 21.8 1.0 CG A:HIS106 4.5 21.2 1.0 CB A:ASP165 4.5 22.6 1.0 OD1 A:ASP36 4.5 21.6 1.0 O A:ALA83 4.6 22.8 1.0 CB A:ALA83 4.8 15.7 1.0 OD2 A:ASP34 4.8 37.2 1.0 OD1 A:ASP105 4.8 28.1 1.0 CA A:GLY136 5.0 17.8 1.0

M.J.Li, G.S.Yi, F.Yu, H.Zhou, J.N.Chen, C.Y.Xu, F.P.Wang, X.Xiao, J.H.He, X.P.Liu. The Crystal Structure of Pyrococcus Furiosus Recj Implicates It As An Ancestor of Eukaryotic CDC45 Nucleic Acids Res. V. 45 12551 2017.
ISSN: ISSN 0305-1048
DOI: 10.1093/NAR/GKX887