Manganese in PDB 3ffw: Crystal Structure of Chey Triple Mutant F14Q, N59K, E89Y Complexed with BEF3- and MN2+

The structure of Crystal Structure of Chey Triple Mutant F14Q, N59K, E89Y Complexed with BEF3- and MN2+, PDB code: 3ffw 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)	27.67 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.491, 53.543, 161.568, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 20.6

The structure of Crystal Structure of Chey Triple Mutant F14Q, N59K, E89Y 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 F14Q, N59K, E89Y Complexed with BEF3- and MN2+ (pdb code 3ffw). 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 F14Q, N59K, E89Y Complexed with BEF3- and MN2+, PDB code: 3ffw:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Chey Triple Mutant F14Q, N59K, E89Y 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 F14Q, N59K, E89Y Complexed with BEF3- and MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:21.1 occ:1.00 F1 A:BEF130 2.0 40.3 1.0 O A:HOH347 2.0 25.3 1.0 OD2 A:ASP57 2.1 17.3 1.0 OD1 A:ASP13 2.2 20.6 1.0 O A:LYS59 2.2 18.8 1.0 O A:HOH257 2.3 18.6 1.0 CG A:ASP57 3.1 17.6 1.0 CG A:ASP13 3.1 20.1 1.0 BE A:BEF130 3.2 31.1 1.0 C A:LYS59 3.4 19.9 1.0 OD1 A:ASP57 3.4 19.6 1.0 OD2 A:ASP13 3.5 24.3 1.0 OD1 A:ASP12 3.9 16.1 1.0 F3 A:BEF130 4.1 34.0 1.0 CA A:LYS59 4.1 19.8 1.0 CB A:LYS59 4.1 21.0 1.0 F2 A:BEF130 4.3 34.6 1.0 CG A:MET60 4.3 18.7 1.0 N A:LYS59 4.3 19.9 1.0 O A:HOH204 4.3 35.2 1.0 OE1 A:GLN14 4.4 31.0 1.0 CB A:ASP57 4.4 17.4 1.0 N A:MET60 4.5 18.7 1.0 CB A:ASP13 4.5 18.0 1.0 N A:ASP13 4.5 17.8 1.0 O A:HOH252 4.5 37.9 1.0 CG A:ASP12 4.6 17.1 1.0 NZ A:LYS109 4.6 15.7 1.0 CG A:GLN14 4.7 23.6 1.0 CA A:MET60 4.7 19.4 1.0 CD A:GLN14 4.8 26.2 1.0 OD2 A:ASP12 4.8 19.1 1.0 CG A:LYS59 4.8 22.4 1.0 CA A:ASP13 5.0 18.7 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Chey Triple Mutant F14Q, N59K, E89Y 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 F14Q, N59K, E89Y Complexed with BEF3- and MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn202 b:24.9 occ:1.00 F1 B:BEF131 2.0 40.3 1.0 O B:HOH346 2.1 24.6 1.0 OD2 B:ASP57 2.1 19.9 1.0 OD1 B:ASP13 2.2 21.8 1.0 O B:LYS59 2.2 20.2 1.0 O B:HOH280 2.3 21.6 1.0 CG B:ASP57 3.1 20.0 1.0 CG B:ASP13 3.2 21.4 1.0 BE B:BEF131 3.2 31.1 1.0 C B:LYS59 3.4 21.2 1.0 OD1 B:ASP57 3.5 18.1 1.0 OD2 B:ASP13 3.5 27.8 1.0 OD1 B:ASP12 4.0 16.9 1.0 F3 B:BEF131 4.1 34.0 1.0 CB B:LYS59 4.1 21.5 1.0 CA B:LYS59 4.2 21.4 1.0 O B:HOH169 4.2 38.5 1.0 CG B:MET60 4.3 19.5 1.0 F2 B:BEF131 4.3 34.6 1.0 N B:LYS59 4.4 20.8 1.0 CB B:ASP57 4.4 18.9 1.0 N B:MET60 4.5 20.9 1.0 N B:ASP13 4.5 20.2 1.0 O B:HOH341 4.5 36.3 1.0 OE1 B:GLN14 4.5 33.2 1.0 CB B:ASP13 4.5 20.8 1.0 CG B:ASP12 4.6 17.7 1.0 NZ B:LYS109 4.6 18.4 1.0 CA B:MET60 4.7 20.8 1.0 CG B:LYS59 4.8 23.7 1.0 OD2 B:ASP12 4.8 19.7 1.0 CG B:GLN14 4.8 26.4 1.0 CD B:GLN14 4.9 28.3 1.0 CA B:ASP13 5.0 20.9 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