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Fluorine in PDB 1zh4: Crystal Structure of the Mg+2/BEF3-Bound Receiver Domain of Kdp Potassium Transport System Response Regulator Kdpe

Protein crystallography data

The structure of Crystal Structure of the Mg+2/BEF3-Bound Receiver Domain of Kdp Potassium Transport System Response Regulator Kdpe, PDB code: 1zh4 was solved by A.Toro-Roman, T.Wu, A.M.Stock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.20
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 70.912, 126.675, 62.655, 90.00, 90.00, 90.00
R / Rfree (%) 22.7 / 26.5

Other elements in 1zh4:

The structure of Crystal Structure of the Mg+2/BEF3-Bound Receiver Domain of Kdp Potassium Transport System Response Regulator Kdpe also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of the Mg+2/BEF3-Bound Receiver Domain of Kdp Potassium Transport System Response Regulator Kdpe (pdb code 1zh4). 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 the Mg+2/BEF3-Bound Receiver Domain of Kdp Potassium Transport System Response Regulator Kdpe, PDB code: 1zh4:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 1zh4

Go back to Fluorine Binding Sites List in 1zh4
Fluorine binding site 1 out of 6 in the Crystal Structure of the Mg+2/BEF3-Bound Receiver Domain of Kdp Potassium Transport System Response Regulator Kdpe


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 the Mg+2/BEF3-Bound Receiver Domain of Kdp Potassium Transport System Response Regulator Kdpe within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:42.3
occ:1.00
F1 A:BEF301 0.0 42.3 1.0
BE A:BEF301 1.5 43.6 1.0
MG A:MG201 2.1 60.7 1.0
O A:HOH352 2.4 44.9 1.0
F2 A:BEF301 2.4 43.1 1.0
F3 A:BEF301 2.5 43.8 1.0
OD1 A:ASP52 2.8 48.9 1.0
OD2 A:ASP52 2.9 51.5 1.0
O A:GLY54 3.2 59.4 1.0
CG A:ASP52 3.3 50.3 1.0
N A:GLY54 3.4 56.4 1.0
CA A:GLY54 3.4 58.2 1.0
C A:GLY54 3.7 59.2 1.0
NZ A:LYS101 3.9 42.3 1.0
OD1 A:ASP9 4.0 59.2 1.0
C A:LEU53 4.6 55.2 1.0
N A:LEU53 4.7 51.9 1.0
OG A:SER79 4.7 44.5 1.0
CB A:ASP52 4.8 50.9 1.0
OE2 A:GLU10 4.8 63.0 1.0
OE1 A:GLU8 4.8 44.5 1.0
O A:HOH351 4.8 53.7 1.0
OE2 A:GLU8 5.0 46.9 1.0

Fluorine binding site 2 out of 6 in 1zh4

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Fluorine binding site 2 out of 6 in the Crystal Structure of the Mg+2/BEF3-Bound Receiver Domain of Kdp Potassium Transport System Response Regulator Kdpe


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 the Mg+2/BEF3-Bound Receiver Domain of Kdp Potassium Transport System Response Regulator Kdpe within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:43.1
occ:1.00
F2 A:BEF301 0.0 43.1 1.0
BE A:BEF301 1.5 43.6 1.0
OG A:SER79 2.4 44.5 1.0
F3 A:BEF301 2.4 43.8 1.0
OD1 A:ASP52 2.4 48.9 1.0
F1 A:BEF301 2.4 42.3 1.0
N A:GLY54 2.7 56.4 1.0
CB A:SER79 3.1 44.1 1.0
N A:LEU53 3.3 51.9 1.0
CA A:SER79 3.5 43.8 1.0
CG A:ASP52 3.6 50.3 1.0
CA A:GLY54 3.6 58.2 1.0
C A:LEU53 3.6 55.2 1.0
CA A:LEU53 3.6 53.6 1.0
N A:ALA80 3.7 46.3 1.0
CB A:LEU53 3.7 53.0 1.0
OD2 A:ASP52 4.0 51.5 1.0
C A:SER79 4.1 45.0 1.0
MG A:MG201 4.4 60.7 1.0
C A:ASP52 4.4 51.6 1.0
O A:HOH352 4.4 44.9 1.0
NZ A:LYS101 4.4 42.3 1.0
C A:GLY54 4.6 59.2 1.0
O A:LEU78 4.6 41.8 1.0
O A:GLY54 4.6 59.4 1.0
CA A:ASP52 4.7 50.2 1.0
CB A:ASP52 4.7 50.9 1.0
N A:ARG81 4.8 50.5 1.0
N A:SER79 4.8 42.9 1.0
O A:LEU53 4.8 55.1 1.0
CA A:ALA80 4.8 48.1 1.0
NE A:ARG81 4.9 54.6 1.0
CG A:ARG81 4.9 52.7 1.0
CE A:LYS101 4.9 41.6 1.0
CG A:LEU53 4.9 53.2 1.0

Fluorine binding site 3 out of 6 in 1zh4

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Fluorine binding site 3 out of 6 in the Crystal Structure of the Mg+2/BEF3-Bound Receiver Domain of Kdp Potassium Transport System Response Regulator Kdpe


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 the Mg+2/BEF3-Bound Receiver Domain of Kdp Potassium Transport System Response Regulator Kdpe within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:43.8
occ:1.00
F3 A:BEF301 0.0 43.8 1.0
BE A:BEF301 1.5 43.6 1.0
NZ A:LYS101 2.4 42.3 1.0
F2 A:BEF301 2.4 43.1 1.0
F1 A:BEF301 2.5 42.3 1.0
N A:ALA80 2.9 46.3 1.0
CE A:LYS101 2.9 41.6 1.0
OD1 A:ASP52 3.0 48.9 1.0
O A:HOH352 3.3 44.9 1.0
CA A:SER79 3.4 43.8 1.0
C A:SER79 3.6 45.0 1.0
OG A:SER79 3.7 44.5 1.0
CD A:LYS101 3.8 39.3 1.0
CB A:ALA80 3.8 48.2 1.0
CG A:ASP52 3.9 50.3 1.0
CA A:ALA80 3.9 48.1 1.0
OD2 A:ASP52 4.0 51.5 1.0
CB A:SER79 4.0 44.1 1.0
MG A:MG201 4.3 60.7 1.0
O A:LEU78 4.3 41.8 1.0
O A:HOH323 4.4 43.1 1.0
OE1 A:GLU8 4.6 44.5 1.0
N A:SER79 4.6 42.9 1.0
CG A:LYS101 4.7 39.0 1.0
O A:SER79 4.8 42.3 1.0
N A:GLY54 4.9 56.4 1.0
C A:LEU78 4.9 42.0 1.0

Fluorine binding site 4 out of 6 in 1zh4

Go back to Fluorine Binding Sites List in 1zh4
Fluorine binding site 4 out of 6 in the Crystal Structure of the Mg+2/BEF3-Bound Receiver Domain of Kdp Potassium Transport System Response Regulator Kdpe


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 the Mg+2/BEF3-Bound Receiver Domain of Kdp Potassium Transport System Response Regulator Kdpe within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F302

b:35.0
occ:1.00
F1 B:BEF302 0.0 35.0 1.0
BE B:BEF302 1.5 36.8 1.0
MG B:MG202 2.2 36.7 1.0
F3 B:BEF302 2.4 39.0 1.0
F2 B:BEF302 2.5 37.1 1.0
OD1 B:ASP52 2.8 32.2 1.0
O B:HOH357 2.9 35.7 1.0
O B:GLY54 3.1 33.3 1.0
O B:HOH358 3.1 27.0 1.0
CA B:GLY54 3.1 29.9 1.0
N B:GLY54 3.1 30.0 1.0
OD2 B:ASP52 3.3 33.1 1.0
CG B:ASP52 3.4 31.8 1.0
C B:GLY54 3.5 31.9 1.0
OD1 B:ASP9 4.3 37.5 1.0
C B:LEU53 4.4 29.2 1.0
NZ B:LYS101 4.4 31.5 1.0
N B:LEU53 4.6 26.8 1.0
OG B:SER79 4.7 32.4 1.0
N B:ALA80 4.8 31.9 1.0
O B:HOH333 4.8 46.8 1.0
CB B:ASP52 4.9 30.5 1.0
N B:LEU55 4.9 33.9 1.0
CB B:ALA80 4.9 30.9 1.0

Fluorine binding site 5 out of 6 in 1zh4

Go back to Fluorine Binding Sites List in 1zh4
Fluorine binding site 5 out of 6 in the Crystal Structure of the Mg+2/BEF3-Bound Receiver Domain of Kdp Potassium Transport System Response Regulator Kdpe


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 the Mg+2/BEF3-Bound Receiver Domain of Kdp Potassium Transport System Response Regulator Kdpe within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F302

b:37.1
occ:1.00
F2 B:BEF302 0.0 37.1 1.0
BE B:BEF302 1.5 36.8 1.0
OG B:SER79 2.4 32.4 1.0
F1 B:BEF302 2.5 35.0 1.0
F3 B:BEF302 2.5 39.0 1.0
N B:GLY54 2.7 30.0 1.0
OD1 B:ASP52 2.8 32.2 1.0
N B:LEU53 3.1 26.8 1.0
CB B:SER79 3.3 32.5 1.0
C B:LEU53 3.6 29.2 1.0
CA B:LEU53 3.6 27.4 1.0
CA B:GLY54 3.6 29.9 1.0
N B:ALA80 3.6 31.9 1.0
CA B:SER79 3.7 31.6 1.0
CB B:LEU53 3.7 27.0 1.0
CG B:ASP52 3.8 31.8 1.0
C B:ASP52 4.1 28.4 1.0
C B:SER79 4.1 31.1 1.0
CG B:ARG81 4.3 38.5 1.0
OD2 B:ASP52 4.3 33.1 1.0
MG B:MG202 4.4 36.7 1.0
CA B:ASP52 4.5 29.3 1.0
CG B:LEU53 4.5 27.1 1.0
C B:GLY54 4.6 31.9 1.0
O B:GLY54 4.6 33.3 1.0
N B:ARG81 4.6 35.5 1.0
CA B:ALA80 4.6 33.2 1.0
CB B:ALA80 4.7 30.9 1.0
O B:LEU78 4.7 31.3 1.0
CB B:ASP52 4.7 30.5 1.0
O B:LEU53 4.7 26.7 1.0
NZ B:LYS101 4.9 31.5 1.0
O B:HOH357 4.9 35.7 1.0
N B:SER79 4.9 30.8 1.0
CD B:ARG81 5.0 42.8 1.0

Fluorine binding site 6 out of 6 in 1zh4

Go back to Fluorine Binding Sites List in 1zh4
Fluorine binding site 6 out of 6 in the Crystal Structure of the Mg+2/BEF3-Bound Receiver Domain of Kdp Potassium Transport System Response Regulator Kdpe


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 the Mg+2/BEF3-Bound Receiver Domain of Kdp Potassium Transport System Response Regulator Kdpe within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F302

b:39.0
occ:1.00
F3 B:BEF302 0.0 39.0 1.0
BE B:BEF302 1.5 36.8 1.0
F1 B:BEF302 2.4 35.0 1.0
F2 B:BEF302 2.5 37.1 1.0
OD1 B:ASP52 2.7 32.2 1.0
N B:ALA80 2.8 31.9 1.0
NZ B:LYS101 2.9 31.5 1.0
O B:HOH357 3.4 35.7 1.0
CB B:ALA80 3.5 30.9 1.0
CA B:SER79 3.5 31.6 1.0
C B:SER79 3.6 31.1 1.0
CE B:LYS101 3.6 33.4 1.0
CD B:LYS101 3.7 34.2 1.0
CA B:ALA80 3.7 33.2 1.0
OG B:SER79 3.8 32.4 1.0
CG B:ASP52 3.9 31.8 1.0
MG B:MG202 4.0 36.7 1.0
CB B:SER79 4.2 32.5 1.0
O B:HOH330 4.3 57.5 1.0
OD2 B:ASP52 4.4 33.1 1.0
O B:LEU78 4.4 31.3 1.0
CG B:LYS101 4.7 35.4 1.0
N B:GLY54 4.7 30.0 1.0
N B:SER79 4.7 30.8 1.0
O B:SER79 4.7 31.2 1.0
OE1 B:GLU8 4.8 39.6 1.0
C B:ALA80 4.9 34.7 1.0
N B:LEU53 5.0 26.8 1.0
C B:LEU78 5.0 31.9 1.0

Reference:

A.Toro-Roman, T.Wu, A.M.Stock. A Common Dimerization Interface in Bacterial Response Regulators Kdpe and Torr. Protein Sci. V. 14 3077 2005.
ISSN: ISSN 0961-8368
PubMed: 16322582
DOI: 10.1110/PS.051722805
Page generated: Sun Dec 13 11:34:30 2020

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