Manganese in PDB 3f7n: Crystal Structure of Chey Triple Mutant F14E, N59M, E89L Complexed with BEF3- and MN2+

The structure of Crystal Structure of Chey Triple Mutant F14E, N59M, E89L Complexed with BEF3- and MN2+, PDB code: 3f7n was solved by Y.Pazy, E.J.Collins, R.B.Bourret, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.411, 53.543, 161.756, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 21.9

The structure of Crystal Structure of Chey Triple Mutant F14E, N59M, E89L Complexed with BEF3- and MN2+ also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Manganese atom in the Crystal Structure of Chey Triple Mutant F14E, N59M, E89L Complexed with BEF3- and MN2+ (pdb code 3f7n). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of Chey Triple Mutant F14E, N59M, E89L Complexed with BEF3- and MN2+, PDB code: 3f7n:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Chey Triple Mutant F14E, N59M, E89L Complexed with BEF3- and MN2+


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 Chey Triple Mutant F14E, N59M, E89L Complexed with BEF3- and MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:26.2 occ:1.00 O A:HOH358 2.0 18.5 1.0 F2 A:BEF130 2.0 19.7 1.0 OD1 A:ASP13 2.1 18.3 1.0 OD2 A:ASP57 2.2 17.1 1.0 O A:MET59 2.2 18.5 1.0 O A:HOH161 2.2 16.5 1.0 CG A:ASP13 3.1 18.9 1.0 CG A:ASP57 3.1 17.2 1.0 BE A:BEF130 3.3 16.2 1.0 C A:MET59 3.4 19.4 1.0 OD2 A:ASP13 3.4 25.1 1.0 OD1 A:ASP57 3.4 19.0 1.0 OD1 A:ASP12 3.9 16.7 1.0 O A:HOH332 4.0 55.0 1.0 CA A:MET59 4.1 19.5 1.0 CB A:MET59 4.1 19.8 1.0 F1 A:BEF130 4.2 17.3 1.0 O A:HOH167 4.3 40.0 1.0 CG A:MET60 4.3 18.6 1.0 OE2 A:GLU14 4.3 25.0 1.0 N A:MET59 4.3 18.9 1.0 O A:HOH188 4.3 34.6 1.0 F3 A:BEF130 4.4 17.2 1.0 N A:ASP13 4.4 17.4 1.0 N A:MET60 4.4 18.8 1.0 CB A:ASP13 4.4 18.8 1.0 CB A:ASP57 4.5 17.3 1.0 O A:HOH248 4.5 22.3 1.0 CG A:ASP12 4.6 16.2 1.0 NZ A:LYS109 4.6 16.3 1.0 CA A:MET60 4.7 19.4 1.0 OD2 A:ASP12 4.7 17.8 1.0 CG A:GLU14 4.8 21.8 1.0 CA A:ASP13 4.9 18.6 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Chey Triple Mutant F14E, N59M, E89L Complexed with BEF3- and MN2+


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 Chey Triple Mutant F14E, N59M, E89L Complexed with BEF3- and MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn202 b:29.0 occ:1.00 O B:HOH360 2.0 20.7 1.0 F2 B:BEF130 2.0 34.6 1.0 OD2 B:ASP57 2.1 18.4 1.0 OD1 B:ASP13 2.2 22.3 1.0 O B:MET59 2.2 20.4 1.0 O B:HOH140 2.3 17.1 1.0 CG B:ASP13 3.1 22.6 1.0 CG B:ASP57 3.2 18.8 1.0 BE B:BEF130 3.2 31.1 1.0 OD2 B:ASP13 3.4 27.9 1.0 C B:MET59 3.4 21.2 1.0 OD1 B:ASP57 3.5 18.6 1.0 OD1 B:ASP12 3.9 16.2 1.0 O B:HOH333 3.9 43.0 1.0 F1 B:BEF130 4.1 40.3 1.0 CA B:MET59 4.2 21.6 1.0 CB B:MET59 4.2 21.5 1.0 F3 B:BEF130 4.3 34.0 1.0 O B:HOH203 4.3 47.8 1.0 CG B:MET60 4.3 19.1 1.0 N B:MET59 4.3 20.6 1.0 OE1 B:GLU14 4.4 29.5 1.0 O B:HOH234 4.4 21.6 1.0 N B:MET60 4.4 20.6 1.0 CB B:ASP57 4.4 17.6 1.0 N B:ASP13 4.5 20.4 1.0 CB B:ASP13 4.5 21.9 1.0 O B:HOH213 4.5 41.3 1.0 CG B:ASP12 4.6 18.5 1.0 CA B:MET60 4.7 20.6 1.0 NZ B:LYS109 4.7 18.8 1.0 OD2 B:ASP12 4.8 17.8 1.0 CG B:GLU14 4.8 25.2 1.0 CA B:ASP13 5.0 21.5 1.0

Y.Pazy, A.C.Wollish, S.A.Thomas, P.J.Miller, E.J.Collins, R.B.Bourret, R.E.Silversmith. Matching Biochemical Reaction Kinetics to the Timescales of Life: Structural Determinants That Influence the Autodephosphorylation Rate of Response Regulator Proteins. J.Mol.Biol. V. 392 1205 2009.
ISSN: ISSN 0022-2836
PubMed: 19646451
DOI: 10.1016/J.JMB.2009.07.064