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Fluorine in PDB 4e7p: Crystal Structure of Receiver Domain of Putative Narl Family Response Regulator SPR1814 From Streptococcus Pneumoniae in the Presence of the Phosphoryl Analog Beryllofluoride

Protein crystallography data

The structure of Crystal Structure of Receiver Domain of Putative Narl Family Response Regulator SPR1814 From Streptococcus Pneumoniae in the Presence of the Phosphoryl Analog Beryllofluoride, PDB code: 4e7p was solved by A.K.Park, J.H.Moon, K.S.Lee, Y.M.Chi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.65 / 1.89
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 75.837, 83.984, 49.511, 90.00, 90.00, 90.00
R / Rfree (%) 18.5 / 22.6

Other elements in 4e7p:

The structure of Crystal Structure of Receiver Domain of Putative Narl Family Response Regulator SPR1814 From Streptococcus Pneumoniae in the Presence of the Phosphoryl Analog Beryllofluoride also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Receiver Domain of Putative Narl Family Response Regulator SPR1814 From Streptococcus Pneumoniae in the Presence of the Phosphoryl Analog Beryllofluoride (pdb code 4e7p). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of Receiver Domain of Putative Narl Family Response Regulator SPR1814 From Streptococcus Pneumoniae in the Presence of the Phosphoryl Analog Beryllofluoride, PDB code: 4e7p:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 4e7p

Go back to Fluorine Binding Sites List in 4e7p
Fluorine binding site 1 out of 6 in the Crystal Structure of Receiver Domain of Putative Narl Family Response Regulator SPR1814 From Streptococcus Pneumoniae in the Presence of the Phosphoryl Analog Beryllofluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Receiver Domain of Putative Narl Family Response Regulator SPR1814 From Streptococcus Pneumoniae in the Presence of the Phosphoryl Analog Beryllofluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F202

b:12.9
occ:1.00
 F1 A:BEF202 0.0 12.9 1.0
BE A:BEF202 1.4 14.9 1.0
F2 A:BEF202 2.3 13.1 1.0
F3 A:BEF202 2.3 12.8 1.0
OD2 A:ASP53 2.4 11.8 1.0
OG1 A:THR81 2.7 15.6 1.0
N A:GLU55 2.9 11.2 1.0
N A:VAL54 3.0 12.0 1.0
CB A:VAL54 3.3 11.1 1.0
CA A:VAL54 3.5 11.4 1.0
CG A:ASP53 3.5 13.0 1.0
CD2 A:PHE83 3.5 23.2 1.0
CB A:THR81 3.5 19.5 1.0
CE2 A:PHE83 3.6 20.2 1.0
C A:VAL54 3.7 12.5 1.0
CA A:THR81 3.9 16.4 1.0
CA A:GLU55 4.0 13.7 1.0
CB A:GLU55 4.0 14.9 1.0
OD1 A:ASP53 4.1 11.7 1.0
C A:ASP53 4.1 12.7 1.0
CG2 A:VAL54 4.2 10.9 1.0
N A:THR82 4.2 16.9 1.0
CG A:GLU55 4.3 14.9 1.0
O A:VAL80 4.4 19.9 1.0
MG A:MG201 4.4 4.2 1.0
CA A:ASP53 4.4 11.6 1.0
CG1 A:VAL54 4.4 14.9 1.0
CB A:ASP53 4.5 11.0 1.0
O A:GLU55 4.6 14.0 1.0
C A:THR81 4.6 19.2 1.0
O A:HOH317 4.6 22.1 1.0
C A:GLU55 4.7 13.6 1.0
NZ A:LYS103 4.8 13.3 1.0
CG A:PHE83 4.8 23.4 1.0
O A:VAL54 4.8 13.8 1.0
CZ A:PHE83 4.9 24.0 1.0
CG2 A:THR81 4.9 19.0 1.0

Fluorine binding site 2 out of 6 in 4e7p

Go back to Fluorine Binding Sites List in 4e7p
Fluorine binding site 2 out of 6 in the Crystal Structure of Receiver Domain of Putative Narl Family Response Regulator SPR1814 From Streptococcus Pneumoniae in the Presence of the Phosphoryl Analog Beryllofluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Receiver Domain of Putative Narl Family Response Regulator SPR1814 From Streptococcus Pneumoniae in the Presence of the Phosphoryl Analog Beryllofluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F202

b:13.1
occ:1.00
 F2 A:BEF202 0.0 13.1 1.0
BE A:BEF202 1.4 14.9 1.0
F1 A:BEF202 2.3 12.9 1.0
F3 A:BEF202 2.3 12.8 1.0
OD2 A:ASP53 2.5 11.8 1.0
NZ A:LYS103 2.8 13.3 1.0
N A:THR82 3.0 16.9 1.0
O A:HOH317 3.0 22.1 1.0
CE A:LYS103 3.4 15.8 1.0
CA A:THR81 3.4 16.4 1.0
OG1 A:THR81 3.5 15.6 1.0
OG1 A:THR82 3.5 21.8 1.0
CG A:ASP53 3.6 13.0 1.0
C A:THR81 3.7 19.2 1.0
CE2 A:PHE83 3.9 20.2 1.0
CD A:LYS103 3.9 14.3 1.0
CB A:THR82 3.9 21.9 1.0
O A:HOH301 3.9 12.7 1.0
CB A:THR81 4.0 19.5 1.0
CA A:THR82 4.0 20.0 1.0
OD1 A:ASP53 4.1 11.7 1.0
CD2 A:PHE83 4.1 23.2 1.0
O A:VAL80 4.2 19.9 1.0
MG A:MG201 4.2 4.2 1.0
O A:HOH302 4.6 20.0 1.0
N A:THR81 4.6 16.3 1.0
N A:VAL54 4.7 12.0 1.0
CB A:ASP53 4.8 11.0 1.0
C A:VAL80 4.8 17.2 1.0
N A:PHE83 4.8 21.2 1.0
CZ A:PHE83 4.9 24.0 1.0
O A:THR81 4.9 15.0 1.0
OE1 A:GLU7 4.9 11.9 1.0
N A:GLU55 4.9 11.2 1.0
CG A:LYS103 4.9 16.3 1.0

Fluorine binding site 3 out of 6 in 4e7p

Go back to Fluorine Binding Sites List in 4e7p
Fluorine binding site 3 out of 6 in the Crystal Structure of Receiver Domain of Putative Narl Family Response Regulator SPR1814 From Streptococcus Pneumoniae in the Presence of the Phosphoryl Analog Beryllofluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Receiver Domain of Putative Narl Family Response Regulator SPR1814 From Streptococcus Pneumoniae in the Presence of the Phosphoryl Analog Beryllofluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F202

b:12.8
occ:1.00
 F3 A:BEF202 0.0 12.8 1.0
BE A:BEF202 1.4 14.9 1.0
F1 A:BEF202 2.3 12.9 1.0
F2 A:BEF202 2.3 13.1 1.0
MG A:MG201 2.3 4.2 1.0
OD2 A:ASP53 2.5 11.8 1.0
OD1 A:ASP53 2.9 11.7 1.0
CG A:ASP53 3.1 13.0 1.0
O A:GLU55 3.2 14.0 1.0
O A:HOH317 3.2 22.1 1.0
O A:HOH301 3.3 12.7 1.0
CE2 A:PHE83 3.4 20.2 1.0
N A:GLU55 3.5 11.2 1.0
O A:HOH392 3.5 26.9 1.0
CB A:GLU55 3.6 14.9 1.0
CA A:GLU55 3.8 13.7 1.0
C A:GLU55 3.9 13.6 1.0
NZ A:LYS103 4.1 13.3 1.0
CD2 A:PHE83 4.2 23.2 1.0
CZ A:PHE83 4.4 24.0 1.0
CG A:GLU55 4.5 14.9 1.0
N A:VAL54 4.5 12.0 1.0
CB A:ASP53 4.6 11.0 1.0
C A:VAL54 4.6 12.5 1.0
OD1 A:ASP8 4.6 15.1 1.0
OG1 A:THR81 4.7 15.6 1.0
O A:HOH358 4.9 32.8 1.0

Fluorine binding site 4 out of 6 in 4e7p

Go back to Fluorine Binding Sites List in 4e7p
Fluorine binding site 4 out of 6 in the Crystal Structure of Receiver Domain of Putative Narl Family Response Regulator SPR1814 From Streptococcus Pneumoniae in the Presence of the Phosphoryl Analog Beryllofluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Receiver Domain of Putative Narl Family Response Regulator SPR1814 From Streptococcus Pneumoniae in the Presence of the Phosphoryl Analog Beryllofluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F202

b:13.6
occ:1.00
 F1 B:BEF202 0.0 13.6 1.0
BE B:BEF202 1.4 16.8 1.0
F2 B:BEF202 2.3 13.1 1.0
F3 B:BEF202 2.3 13.4 1.0
OD2 B:ASP53 2.4 12.8 1.0
O B:HOH306 2.8 26.5 1.0
NZ B:LYS103 2.9 14.1 1.0
N B:THR82 3.1 16.2 1.0
CA B:THR81 3.4 15.1 1.0
OG1 B:THR81 3.5 14.5 1.0
CG B:ASP53 3.5 16.5 1.0
CE B:LYS103 3.5 13.4 1.0
C B:THR81 3.7 17.6 1.0
CG2 B:THR82 3.7 18.1 1.0
CD B:LYS103 3.9 15.6 1.0
CB B:THR81 3.9 15.7 1.0
OD1 B:ASP53 4.0 13.5 1.0
O B:HOH303 4.0 17.2 1.0
CE2 B:PHE83 4.0 28.1 1.0
OG1 B:THR82 4.1 27.4 1.0
O B:VAL80 4.2 20.5 1.0
CA B:THR82 4.2 18.9 1.0
CD2 B:PHE83 4.2 23.4 1.0
CB B:THR82 4.2 23.1 1.0
MG B:MG201 4.3 6.5 1.0
O B:HOH319 4.4 21.2 1.0
N B:THR81 4.5 15.8 1.0
O B:HOH382 4.6 24.9 1.0
N B:VAL54 4.7 12.0 1.0
CB B:ASP53 4.7 13.8 1.0
C B:VAL80 4.8 20.0 1.0
O B:THR81 4.9 14.5 1.0
OE1 B:GLU7 4.9 11.5 1.0
N B:GLU55 4.9 14.2 1.0
N B:PHE83 5.0 20.5 1.0
CZ B:PHE83 5.0 31.5 1.0
CG B:LYS103 5.0 16.5 1.0

Fluorine binding site 5 out of 6 in 4e7p

Go back to Fluorine Binding Sites List in 4e7p
Fluorine binding site 5 out of 6 in the Crystal Structure of Receiver Domain of Putative Narl Family Response Regulator SPR1814 From Streptococcus Pneumoniae in the Presence of the Phosphoryl Analog Beryllofluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of Receiver Domain of Putative Narl Family Response Regulator SPR1814 From Streptococcus Pneumoniae in the Presence of the Phosphoryl Analog Beryllofluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F202

b:13.1
occ:1.00
 F2 B:BEF202 0.0 13.1 1.0
BE B:BEF202 1.4 16.8 1.0
F1 B:BEF202 2.3 13.6 1.0
F3 B:BEF202 2.3 13.4 1.0
MG B:MG201 2.4 6.5 1.0
OD2 B:ASP53 2.5 12.8 1.0
OD1 B:ASP53 2.9 13.5 1.0
CG B:ASP53 3.0 16.5 1.0
O B:HOH306 3.1 26.5 1.0
O B:HOH382 3.1 24.9 1.0
O B:GLU55 3.2 18.1 1.0
O B:HOH303 3.4 17.2 1.0
N B:GLU55 3.5 14.2 1.0
CE2 B:PHE83 3.5 28.1 1.0
CB B:GLU55 3.6 21.2 1.0
CA B:GLU55 3.8 16.6 1.0
C B:GLU55 3.9 15.9 1.0
CD2 B:PHE83 4.2 23.4 1.0
NZ B:LYS103 4.2 14.1 1.0
CZ B:PHE83 4.4 31.5 1.0
O B:HOH419 4.5 29.9 1.0
N B:VAL54 4.5 12.0 1.0
CG B:GLU55 4.5 20.9 1.0
C B:VAL54 4.5 15.7 1.0
OD1 B:ASP8 4.5 14.1 1.0
CB B:ASP53 4.5 13.8 1.0
OG1 B:THR81 4.6 14.5 1.0
O B:HOH406 4.6 35.5 1.0
CA B:VAL54 5.0 12.8 1.0

Fluorine binding site 6 out of 6 in 4e7p

Go back to Fluorine Binding Sites List in 4e7p
Fluorine binding site 6 out of 6 in the Crystal Structure of Receiver Domain of Putative Narl Family Response Regulator SPR1814 From Streptococcus Pneumoniae in the Presence of the Phosphoryl Analog Beryllofluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of Receiver Domain of Putative Narl Family Response Regulator SPR1814 From Streptococcus Pneumoniae in the Presence of the Phosphoryl Analog Beryllofluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F202

b:13.4
occ:1.00
 F3 B:BEF202 0.0 13.4 1.0
BE B:BEF202 1.4 16.8 1.0
F2 B:BEF202 2.3 13.1 1.0
F1 B:BEF202 2.3 13.6 1.0
OD2 B:ASP53 2.5 12.8 1.0
OG1 B:THR81 2.6 14.5 1.0
N B:GLU55 2.9 14.2 1.0
N B:VAL54 3.0 12.0 1.0
CB B:VAL54 3.3 14.6 1.0
CB B:THR81 3.4 15.7 1.0
CA B:VAL54 3.4 12.8 1.0
CG B:ASP53 3.4 16.5 1.0
CD2 B:PHE83 3.5 23.4 1.0
CE2 B:PHE83 3.6 28.1 1.0
C B:VAL54 3.6 15.7 1.0
CA B:THR81 3.8 15.1 1.0
CA B:GLU55 4.0 16.6 1.0
OD1 B:ASP53 4.0 13.5 1.0
CB B:GLU55 4.0 21.2 1.0
C B:ASP53 4.1 12.7 1.0
CG2 B:VAL54 4.1 13.1 1.0
N B:THR82 4.3 16.2 1.0
CG B:GLU55 4.3 20.9 1.0
O B:VAL80 4.3 20.5 1.0
O B:HOH306 4.4 26.5 1.0
CG1 B:VAL54 4.5 17.2 1.0
CA B:ASP53 4.5 11.8 1.0
MG B:MG201 4.5 6.5 1.0
CB B:ASP53 4.6 13.8 1.0
C B:THR81 4.6 17.6 1.0
O B:GLU55 4.6 18.1 1.0
C B:GLU55 4.7 15.9 1.0
CG B:PHE83 4.8 27.2 1.0
CG2 B:THR81 4.8 17.7 1.0
O B:VAL54 4.8 16.3 1.0
CZ B:PHE83 4.9 31.5 1.0
NZ B:LYS103 4.9 14.1 1.0
N B:THR81 5.0 15.8 1.0

Reference:

A.K.Park, J.H.Moon, K.S.Lee, Y.M.Chi. Crystal Structure of Receiver Domain of Putative Narl Family Response Regulator SPR1814 From Streptococcus Pneumoniae in the Absence and Presence of the Phosphoryl Analog Beryllofluoride. Biochem.Biophys.Res.Commun. V. 421 403 2012.
ISSN: ISSN 0006-291X
PubMed: 22521891
DOI: 10.1016/J.BBRC.2012.04.035
Page generated: Sun Dec 13 12:01:55 2020

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