Manganese in PDB 5dgc: Reaction of Phosphorylated Chey with Imidazole 2 of 3

The structure of Reaction of Phosphorylated Chey with Imidazole 2 of 3, PDB code: 5dgc was solved by S.Page, R.E.Silversmith, R.B.Bourret, E.J.Collins, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.43 / 1.94
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.490, 53.580, 161.980, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 18.9

The structure of Reaction of Phosphorylated Chey with Imidazole 2 of 3 also contains other interesting chemical elements:

Fluorine	(F)	6 atoms
Chlorine	(Cl)	1 atom

The binding sites of Manganese atom in the Reaction of Phosphorylated Chey with Imidazole 2 of 3 (pdb code 5dgc). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Reaction of Phosphorylated Chey with Imidazole 2 of 3, PDB code: 5dgc:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Reaction of Phosphorylated Chey with Imidazole 2 of 3


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Reaction of Phosphorylated Chey with Imidazole 2 of 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:21.1 occ:1.00 OD2 A:ASP57 2.1 22.1 1.0 OD1 A:ASP13 2.1 20.5 1.0 F1 A:BEF201 2.2 21.1 1.0 O A:LYS59 2.2 19.6 1.0 O A:HOH311 2.3 18.9 1.0 N1 A:IMD203 2.4 28.6 0.9 CG A:ASP13 3.1 22.8 1.0 CG A:ASP57 3.1 21.0 1.0 C5 A:IMD203 3.2 32.2 0.9 C A:LYS59 3.4 22.4 1.0 BE A:BEF201 3.4 21.1 1.0 OD2 A:ASP13 3.4 24.9 1.0 OD1 A:ASP57 3.5 21.7 1.0 C2 A:IMD203 3.5 33.3 0.9 OD1 A:ASP12 3.9 19.4 1.0 CB A:LYS59 4.1 25.9 1.0 CA A:LYS59 4.1 21.5 1.0 CG A:MET60 4.3 20.1 1.0 F3 A:BEF201 4.3 20.6 1.0 N A:LYS59 4.4 20.9 1.0 OE1 A:GLN14 4.4 30.0 1.0 N A:MET60 4.4 21.2 1.0 C4 A:IMD203 4.4 30.0 0.9 F2 A:BEF201 4.4 22.0 1.0 CB A:ASP13 4.5 22.5 1.0 N A:ASP13 4.5 20.5 1.0 CB A:ASP57 4.5 18.3 1.0 O A:HOH339 4.5 36.2 1.0 N3 A:IMD203 4.6 32.8 0.9 CG A:ASP12 4.6 19.4 1.0 CG A:GLN14 4.7 27.6 1.0 CG A:LYS59 4.7 31.4 1.0 NZ A:LYS109 4.7 21.6 1.0 CA A:MET60 4.7 21.6 1.0 CD A:GLN14 4.8 30.6 1.0 OD2 A:ASP12 4.8 20.4 1.0 CA A:ASP13 4.9 21.9 1.0

Manganese binding site 2 out of 2 in the Reaction of Phosphorylated Chey with Imidazole 2 of 3


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Reaction of Phosphorylated Chey with Imidazole 2 of 3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn201 b:22.7 occ:1.00 F1 B:BEF202 2.1 24.5 1.0 OD2 B:ASP57 2.1 21.1 1.0 OD1 B:ASP13 2.1 22.2 1.0 O B:LYS59 2.2 20.8 1.0 O B:HOH307 2.3 22.9 1.0 N1 B:IMD203 2.4 31.1 0.8 CG B:ASP13 3.1 23.9 1.0 CG B:ASP57 3.2 20.3 1.0 C5 B:IMD203 3.3 33.8 0.8 C2 B:IMD203 3.3 33.8 0.8 BE B:BEF202 3.3 22.2 1.0 C B:LYS59 3.4 23.0 1.0 OD2 B:ASP13 3.4 26.3 1.0 OD1 B:ASP57 3.5 20.4 1.0 OD1 B:ASP12 3.9 22.2 1.0 CB B:LYS59 4.1 25.4 1.0 CA B:LYS59 4.1 23.5 1.0 CG B:MET60 4.3 21.2 1.0 N B:LYS59 4.3 21.3 1.0 F3 B:BEF202 4.3 22.7 1.0 F2 B:BEF202 4.4 20.8 1.0 OE1 B:GLN14 4.4 28.2 1.0 C4 B:IMD203 4.4 37.6 0.8 N3 B:IMD203 4.4 37.0 0.8 CB B:ASP13 4.4 23.6 1.0 N B:MET60 4.4 21.6 1.0 CB B:ASP57 4.5 20.8 1.0 N B:ASP13 4.5 22.5 1.0 CG B:ASP12 4.6 21.3 1.0 O B:HOH399 4.6 36.7 1.0 CG B:GLN14 4.6 28.2 1.0 O B:HOH340 4.6 38.8 1.0 CA B:MET60 4.7 22.1 1.0 CG B:LYS59 4.7 30.3 1.0 CD B:GLN14 4.8 29.6 1.0 NZ B:LYS109 4.8 18.9 1.0 OD2 B:ASP12 4.8 21.9 1.0 C2 B:IMD204 4.9 30.8 0.8 CA B:ASP13 4.9 21.6 1.0

S.C.Page, R.E.Silversmith, E.J.Collins, R.B.Bourret. Imidazole As A Small Molecule Analogue in Two-Component Signal Transduction. Biochemistry V. 54 7248 2015.
ISSN: ISSN 0006-2960
PubMed: 26569142
DOI: 10.1021/ACS.BIOCHEM.5B01082