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Manganese in PDB 3fft: Crystal Structure of Chey Double Mutant F14E, E89R Complexed with BEF3- and MN2+

Protein crystallography data

The structure of Crystal Structure of Chey Double Mutant F14E, E89R Complexed with BEF3- and MN2+, PDB code: 3fft 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) 80.85 / 2.21
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 53.548, 53.585, 161.685, 90.00, 90.00, 90.00
R / Rfree (%) 16.1 / 20.3

Other elements in 3fft:

The structure of Crystal Structure of Chey Double Mutant F14E, E89R Complexed with BEF3- and MN2+ also contains other interesting chemical elements:

Fluorine (F) 6 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of Chey Double Mutant F14E, E89R Complexed with BEF3- and MN2+ (pdb code 3fft). 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 Double Mutant F14E, E89R Complexed with BEF3- and MN2+, PDB code: 3fft:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 3fft

Go back to Manganese Binding Sites List in 3fft
Manganese binding site 1 out of 2 in the Crystal Structure of Chey Double Mutant F14E, E89R 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 Double Mutant F14E, E89R Complexed with BEF3- and MN2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn202

b:26.6
occ:1.00
F1 A:BEF130 2.0 22.8 1.0
O A:HOH310 2.0 20.4 1.0
OD1 A:ASP13 2.1 20.8 1.0
OD2 A:ASP57 2.2 17.6 1.0
O A:HOH154 2.2 17.4 1.0
O A:ASN59 2.3 18.8 1.0
CG A:ASP13 3.1 19.9 1.0
CG A:ASP57 3.2 16.0 1.0
BE A:BEF130 3.2 19.3 1.0
OD2 A:ASP13 3.4 25.5 1.0
C A:ASN59 3.4 18.4 1.0
OD1 A:ASP57 3.4 19.5 1.0
OD1 A:ASP12 3.9 14.8 1.0
CA A:ASN59 4.1 18.1 1.0
CB A:ASN59 4.1 19.3 1.0
OE1 A:GLU14 4.2 26.7 1.0
F3 A:BEF130 4.3 18.9 1.0
N A:ASN59 4.3 17.6 1.0
O A:HOH279 4.3 31.4 1.0
CG A:MET60 4.3 18.1 1.0
N A:MET60 4.4 17.8 1.0
CB A:ASP13 4.4 19.4 1.0
N A:ASP13 4.4 18.3 1.0
CB A:ASP57 4.5 16.0 1.0
O A:HOH223 4.5 36.5 1.0
F2 A:BEF130 4.6 23.0 1.0
CG A:ASP12 4.6 16.8 1.0
NZ A:LYS109 4.6 14.2 1.0
CA A:MET60 4.7 18.3 1.0
O A:HOH283 4.8 38.7 1.0
OD2 A:ASP12 4.8 17.2 1.0
CG A:GLU14 4.8 22.5 1.0
CA A:ASP13 4.9 19.0 1.0
CD A:GLU14 5.0 24.0 1.0

Manganese binding site 2 out of 2 in 3fft

Go back to Manganese Binding Sites List in 3fft
Manganese binding site 2 out of 2 in the Crystal Structure of Chey Double Mutant F14E, E89R 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 Double Mutant F14E, E89R Complexed with BEF3- and MN2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn202

b:29.0
occ:1.00
F1 B:BEF130 2.0 25.4 1.0
OD2 B:ASP57 2.2 18.0 1.0
OD1 B:ASP13 2.2 22.7 1.0
O B:HOH192 2.2 27.3 1.0
O B:HOH190 2.2 16.4 1.0
O B:ASN59 2.3 19.8 1.0
CG B:ASP13 3.1 21.0 1.0
CG B:ASP57 3.1 17.1 1.0
BE B:BEF130 3.2 20.6 1.0
OD2 B:ASP13 3.3 26.4 1.0
OD1 B:ASP57 3.5 16.6 1.0
C B:ASN59 3.5 19.6 1.0
OD1 B:ASP12 3.9 17.9 1.0
O B:HOH136 4.2 38.0 1.0
CA B:ASN59 4.2 19.6 1.0
CB B:ASN59 4.2 20.1 1.0
OE1 B:GLU14 4.3 26.2 1.0
CG B:MET60 4.3 18.4 1.0
O B:HOH333 4.3 36.5 1.0
F3 B:BEF130 4.3 23.9 1.0
CB B:ASP57 4.4 17.3 1.0
N B:ASN59 4.4 18.9 1.0
N B:ASP13 4.4 18.4 1.0
F2 B:BEF130 4.5 23.4 1.0
CB B:ASP13 4.5 19.8 1.0
N B:MET60 4.5 20.3 1.0
NZ B:LYS109 4.5 18.2 1.0
CG B:ASP12 4.5 16.7 1.0
CA B:MET60 4.7 19.8 1.0
OD2 B:ASP12 4.7 14.0 1.0
O B:HOH334 4.9 46.3 1.0
CG B:GLU14 4.9 21.7 1.0
CA B:ASP13 4.9 19.1 1.0

Reference:

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
Page generated: Tue Dec 15 04:09:24 2020

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