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Fluorine in PDB 1kmi: Crystal Structure of An E.Coli Chemotaxis Protein, Chez

Protein crystallography data

The structure of Crystal Structure of An E.Coli Chemotaxis Protein, Chez, PDB code: 1kmi was solved by R.Zhao, E.J.Collins, R.B.Bourret, R.E.Silversmith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.90
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 163.280, 163.280, 54.133, 90.00, 90.00, 90.00
R / Rfree (%) 27.9 / 29.8

Other elements in 1kmi:

The structure of Crystal Structure of An E.Coli Chemotaxis Protein, Chez also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of An E.Coli Chemotaxis Protein, Chez (pdb code 1kmi). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of An E.Coli Chemotaxis Protein, Chez, PDB code: 1kmi:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 1kmi

Go back to Fluorine Binding Sites List in 1kmi
Fluorine binding site 1 out of 3 in the Crystal Structure of An E.Coli Chemotaxis Protein, Chez


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 An E.Coli Chemotaxis Protein, Chez within 5.0Å range:
probe atom residue distance (Å) B Occ
Y:F201

b:0.1
occ:1.00
F1 Y:BEF201 0.0 0.1 1.0
BE Y:BEF201 1.5 0.4 1.0
MG Y:MG301 2.1 84.2 1.0
OD2 Y:ASP57 2.3 0.8 1.0
F2 Y:BEF201 2.4 0.2 1.0
OE1 Z:GLN147 2.4 88.2 1.0
F3 Y:BEF201 2.4 0.0 1.0
OD1 Y:ASP57 2.5 0.2 1.0
CG Y:ASP57 2.7 0.1 1.0
CD Z:GLN147 3.3 90.7 1.0
O Y:ASN59 3.4 0.7 1.0
CB Y:ASN59 3.5 0.3 1.0
N Y:ASN59 3.6 0.8 1.0
NE2 Z:GLN147 3.6 88.1 1.0
CA Y:ASN59 3.9 0.5 1.0
C Y:ASN59 4.1 1.0 1.0
CB Y:ASP57 4.2 0.1 1.0
ND2 Y:ASN59 4.3 0.1 1.0
OD1 Y:ASP13 4.4 0.2 1.0
N Y:TRP58 4.4 0.0 1.0
CG Y:ASN59 4.4 0.6 1.0
CG Z:GLN147 4.6 93.1 1.0
C Y:TRP58 4.6 0.9 1.0
NZ Y:LYS109 4.7 75.4 1.0
OG1 Y:THR87 4.7 0.7 1.0
N Y:ALA88 4.8 0.1 1.0
CA Y:TRP58 5.0 0.5 1.0
CB Y:ALA88 5.0 0.6 1.0
OD2 Y:ASP12 5.0 0.9 1.0
CB Y:THR87 5.0 0.7 1.0

Fluorine binding site 2 out of 3 in 1kmi

Go back to Fluorine Binding Sites List in 1kmi
Fluorine binding site 2 out of 3 in the Crystal Structure of An E.Coli Chemotaxis Protein, Chez


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 An E.Coli Chemotaxis Protein, Chez within 5.0Å range:
probe atom residue distance (Å) B Occ
Y:F201

b:0.2
occ:1.00
F2 Y:BEF201 0.0 0.2 1.0
BE Y:BEF201 1.5 0.4 1.0
F1 Y:BEF201 2.4 0.1 1.0
F3 Y:BEF201 2.4 0.0 1.0
OD1 Y:ASP57 2.5 0.2 1.0
OG1 Y:THR87 2.6 0.7 1.0
N Y:ASN59 3.0 0.8 1.0
CB Y:THR87 3.2 0.7 1.0
CG Y:ASP57 3.3 0.1 1.0
N Y:TRP58 3.3 0.0 1.0
CB Y:TRP58 3.3 0.7 1.0
OD2 Y:ASP57 3.5 0.8 1.0
N Y:ALA88 3.5 0.1 1.0
CA Y:TRP58 3.6 0.5 1.0
CB Y:ASN59 3.7 0.3 1.0
C Y:TRP58 3.8 0.9 1.0
CA Y:ASN59 4.0 0.5 1.0
CA Y:THR87 4.0 0.5 1.0
CG Y:GLU89 4.2 0.5 1.0
C Y:THR87 4.3 0.1 1.0
N Y:GLU89 4.3 0.9 1.0
MG Y:MG301 4.4 84.2 1.0
CA Y:ALA88 4.5 0.1 1.0
C Y:ASP57 4.5 0.5 1.0
CB Y:ALA88 4.5 0.6 1.0
CG2 Y:THR87 4.5 0.7 1.0
CG Y:TRP58 4.5 0.8 1.0
OE1 Z:GLN147 4.5 88.2 1.0
CB Y:ASP57 4.6 0.1 1.0
NE2 Z:GLN147 4.8 88.1 1.0
O Y:ASN59 4.8 0.7 1.0
CA Y:ASP57 4.9 0.2 1.0
C Y:ALA88 4.9 0.1 1.0
C Y:ASN59 4.9 1.0 1.0
OE2 Y:GLU89 4.9 0.4 1.0
O Y:TRP58 5.0 0.7 1.0

Fluorine binding site 3 out of 3 in 1kmi

Go back to Fluorine Binding Sites List in 1kmi
Fluorine binding site 3 out of 3 in the Crystal Structure of An E.Coli Chemotaxis Protein, Chez


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 An E.Coli Chemotaxis Protein, Chez within 5.0Å range:
probe atom residue distance (Å) B Occ
Y:F201

b:0.0
occ:1.00
F3 Y:BEF201 0.0 0.0 1.0
BE Y:BEF201 1.5 0.4 1.0
F2 Y:BEF201 2.4 0.2 1.0
F1 Y:BEF201 2.4 0.1 1.0
OD1 Y:ASP57 2.5 0.2 1.0
N Y:ALA88 2.5 0.1 1.0
CB Y:ALA88 3.0 0.6 1.0
C Y:THR87 3.2 0.1 1.0
CA Y:ALA88 3.3 0.1 1.0
OG1 Y:THR87 3.3 0.7 1.0
CA Y:THR87 3.4 0.5 1.0
OE1 Z:GLN147 3.5 88.2 1.0
CG Y:ASP57 3.6 0.1 1.0
CB Y:THR87 3.7 0.7 1.0
NE2 Z:GLN147 3.8 88.1 1.0
CE Y:LYS109 3.9 76.6 1.0
NZ Y:LYS109 3.9 75.4 1.0
CD Y:LYS109 4.0 80.2 1.0
OD2 Y:ASP57 4.0 0.8 1.0
CD Z:GLN147 4.1 90.7 1.0
MG Y:MG301 4.3 84.2 1.0
O Y:THR87 4.3 0.9 1.0
C Y:ALA88 4.4 0.1 1.0
N Y:GLU89 4.5 0.9 1.0
OD2 Z:ASP143 4.6 0.1 1.0
CG Y:LYS109 4.7 87.4 1.0
N Y:THR87 4.7 0.3 1.0
CB Y:ASP57 4.8 0.1 1.0
N Y:TRP58 4.9 0.0 1.0
O Y:VAL86 5.0 0.2 1.0

Reference:

R.Zhao, E.J.Collins, R.B.Bourret, R.E.Silversmith. Structure and Catalytic Mechanism of the E. Coli Chemotaxis Phosphatase Chez. Nat.Struct.Biol. V. 9 570 2002.
ISSN: ISSN 1072-8368
PubMed: 12080332
Page generated: Wed Jul 31 11:44:59 2024

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