Fluorine in PDB 3fgz: Crystal Structure of Chey Triple Mutant F14E, N59M, E89R Complexed with BEF3- and MN2+
Protein crystallography data
The structure of Crystal Structure of Chey Triple Mutant F14E, N59M, E89R Complexed with BEF3- and MN2+, PDB code: 3fgz
was solved by
A.C.Wollish,
P.J.Miller,
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 /
2.00
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
53.534,
53.485,
161.853,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
19.6 /
22
|
Other elements in 3fgz:
The structure of Crystal Structure of Chey Triple Mutant F14E, N59M, E89R Complexed with BEF3- and MN2+ also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Chey Triple Mutant F14E, N59M, E89R Complexed with BEF3- and MN2+
(pdb code 3fgz). 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 Chey Triple Mutant F14E, N59M, E89R Complexed with BEF3- and MN2+, PDB code: 3fgz:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
Fluorine binding site 1 out
of 6 in 3fgz
Go back to
Fluorine Binding Sites List in 3fgz
Fluorine binding site 1 out
of 6 in the Crystal Structure of Chey Triple Mutant F14E, N59M, E89R Complexed with BEF3- and MN2+
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 Chey Triple Mutant F14E, N59M, E89R Complexed with BEF3- and MN2+ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F130
b:24.8
occ:1.00
|
F1
|
A:BEF130
|
0.0
|
24.8
|
1.0
|
BE
|
A:BEF130
|
1.7
|
23.1
|
1.0
|
MN
|
A:MN202
|
2.0
|
23.2
|
1.0
|
O
|
A:HOH151
|
2.7
|
22.5
|
1.0
|
F2
|
A:BEF130
|
2.9
|
22.4
|
1.0
|
OD1
|
A:ASP57
|
2.9
|
19.8
|
1.0
|
F3
|
A:BEF130
|
2.9
|
22.5
|
1.0
|
O
|
A:MET59
|
3.0
|
20.7
|
1.0
|
OD2
|
A:ASP57
|
3.1
|
20.2
|
1.0
|
O
|
A:HOH192
|
3.1
|
19.5
|
1.0
|
O
|
A:HOH156
|
3.2
|
29.6
|
1.0
|
CB
|
A:MET59
|
3.3
|
22.8
|
1.0
|
CG
|
A:ASP57
|
3.4
|
18.4
|
1.0
|
N
|
A:MET59
|
3.5
|
20.7
|
1.0
|
CE
|
A:MET59
|
3.5
|
26.1
|
1.0
|
CA
|
A:MET59
|
3.6
|
22.5
|
1.0
|
C
|
A:MET59
|
3.7
|
21.6
|
1.0
|
OD1
|
A:ASP13
|
4.1
|
21.9
|
1.0
|
CG
|
A:MET59
|
4.2
|
24.2
|
1.0
|
NZ
|
A:LYS109
|
4.2
|
19.5
|
1.0
|
SD
|
A:MET59
|
4.5
|
29.2
|
1.0
|
C
|
A:TRP58
|
4.7
|
20.1
|
1.0
|
OE1
|
A:GLU14
|
4.8
|
29.3
|
1.0
|
N
|
A:TRP58
|
4.8
|
18.9
|
1.0
|
CB
|
A:ASP57
|
4.9
|
18.4
|
1.0
|
|
Fluorine binding site 2 out
of 6 in 3fgz
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Fluorine Binding Sites List in 3fgz
Fluorine binding site 2 out
of 6 in the Crystal Structure of Chey Triple Mutant F14E, N59M, E89R Complexed with BEF3- and MN2+
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 Chey Triple Mutant F14E, N59M, E89R Complexed with BEF3- and MN2+ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F130
b:22.4
occ:1.00
|
F2
|
A:BEF130
|
0.0
|
22.4
|
1.0
|
BE
|
A:BEF130
|
1.7
|
23.1
|
1.0
|
OG1
|
A:THR87
|
2.5
|
17.4
|
1.0
|
OD1
|
A:ASP57
|
2.7
|
19.8
|
1.0
|
N
|
A:MET59
|
2.8
|
20.7
|
1.0
|
F3
|
A:BEF130
|
2.8
|
22.5
|
1.0
|
F1
|
A:BEF130
|
2.9
|
24.8
|
1.0
|
N
|
A:TRP58
|
3.1
|
18.9
|
1.0
|
CB
|
A:TRP58
|
3.1
|
20.1
|
1.0
|
CB
|
A:THR87
|
3.3
|
18.7
|
1.0
|
CA
|
A:TRP58
|
3.4
|
19.8
|
1.0
|
CE
|
A:MET59
|
3.4
|
26.1
|
1.0
|
C
|
A:TRP58
|
3.5
|
20.1
|
1.0
|
CG
|
A:ASP57
|
3.7
|
18.4
|
1.0
|
CG
|
A:MET59
|
3.8
|
24.2
|
1.0
|
CB
|
A:MET59
|
3.8
|
22.8
|
1.0
|
CA
|
A:MET59
|
3.8
|
22.5
|
1.0
|
CA
|
A:THR87
|
3.9
|
19.3
|
1.0
|
N
|
A:ALA88
|
3.9
|
21.1
|
1.0
|
OD2
|
A:ASP57
|
4.3
|
20.2
|
1.0
|
CG
|
A:ARG89
|
4.3
|
26.3
|
1.0
|
C
|
A:ASP57
|
4.3
|
18.7
|
1.0
|
CG
|
A:TRP58
|
4.3
|
20.7
|
1.0
|
C
|
A:THR87
|
4.4
|
20.0
|
1.0
|
SD
|
A:MET59
|
4.4
|
29.2
|
1.0
|
N
|
A:ARG89
|
4.4
|
23.4
|
1.0
|
MN
|
A:MN202
|
4.5
|
23.2
|
1.0
|
CG2
|
A:THR87
|
4.7
|
18.4
|
1.0
|
CA
|
A:ASP57
|
4.7
|
17.8
|
1.0
|
O
|
A:MET59
|
4.7
|
20.7
|
1.0
|
C
|
A:MET59
|
4.7
|
21.6
|
1.0
|
O
|
A:TRP58
|
4.7
|
18.9
|
1.0
|
O
|
A:HOH156
|
4.8
|
29.6
|
1.0
|
CB
|
A:ASP57
|
4.8
|
18.4
|
1.0
|
CA
|
A:ALA88
|
4.9
|
21.7
|
1.0
|
CB
|
A:ARG89
|
5.0
|
25.0
|
1.0
|
NZ
|
A:LYS109
|
5.0
|
19.5
|
1.0
|
|
Fluorine binding site 3 out
of 6 in 3fgz
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Fluorine Binding Sites List in 3fgz
Fluorine binding site 3 out
of 6 in the Crystal Structure of Chey Triple Mutant F14E, N59M, E89R Complexed with BEF3- and MN2+
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 Chey Triple Mutant F14E, N59M, E89R Complexed with BEF3- and MN2+ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F130
b:22.5
occ:1.00
|
F3
|
A:BEF130
|
0.0
|
22.5
|
1.0
|
BE
|
A:BEF130
|
1.7
|
23.1
|
1.0
|
NZ
|
A:LYS109
|
2.6
|
19.5
|
1.0
|
O
|
A:HOH156
|
2.7
|
29.6
|
1.0
|
OD1
|
A:ASP57
|
2.7
|
19.8
|
1.0
|
N
|
A:ALA88
|
2.8
|
21.1
|
1.0
|
F2
|
A:BEF130
|
2.8
|
22.4
|
1.0
|
F1
|
A:BEF130
|
2.9
|
24.8
|
1.0
|
CD
|
A:LYS109
|
3.1
|
22.3
|
1.0
|
CE
|
A:LYS109
|
3.2
|
20.8
|
1.0
|
CA
|
A:THR87
|
3.4
|
19.3
|
1.0
|
C
|
A:THR87
|
3.6
|
20.0
|
1.0
|
CB
|
A:ALA88
|
3.6
|
22.1
|
1.0
|
CA
|
A:ALA88
|
3.8
|
21.7
|
1.0
|
OG1
|
A:THR87
|
3.8
|
17.4
|
1.0
|
CG
|
A:ASP57
|
3.9
|
18.4
|
1.0
|
O
|
A:HOH192
|
4.0
|
19.5
|
1.0
|
CB
|
A:THR87
|
4.1
|
18.7
|
1.0
|
CE
|
A:MET59
|
4.2
|
26.1
|
1.0
|
CG
|
A:LYS109
|
4.3
|
21.7
|
1.0
|
MN
|
A:MN202
|
4.3
|
23.2
|
1.0
|
OD2
|
A:ASP57
|
4.4
|
20.2
|
1.0
|
O
|
A:VAL86
|
4.4
|
19.0
|
1.0
|
O
|
A:HOH163
|
4.5
|
26.4
|
1.0
|
N
|
A:THR87
|
4.6
|
18.8
|
1.0
|
O
|
A:THR87
|
4.8
|
19.3
|
1.0
|
C
|
A:ALA88
|
4.8
|
22.9
|
1.0
|
N
|
A:ARG89
|
4.9
|
23.4
|
1.0
|
CB
|
A:LYS109
|
4.9
|
22.1
|
1.0
|
OD2
|
A:ASP12
|
4.9
|
17.6
|
1.0
|
C
|
A:VAL86
|
5.0
|
18.7
|
1.0
|
N
|
A:TRP58
|
5.0
|
18.9
|
1.0
|
|
Fluorine binding site 4 out
of 6 in 3fgz
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Fluorine Binding Sites List in 3fgz
Fluorine binding site 4 out
of 6 in the Crystal Structure of Chey Triple Mutant F14E, N59M, E89R Complexed with BEF3- and MN2+
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 Chey Triple Mutant F14E, N59M, E89R Complexed with BEF3- and MN2+ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F130
b:23.9
occ:1.00
|
F1
|
B:BEF130
|
0.0
|
23.9
|
1.0
|
BE
|
B:BEF130
|
1.7
|
26.2
|
1.0
|
OD1
|
B:ASP57
|
2.7
|
17.9
|
1.0
|
NZ
|
B:LYS109
|
2.7
|
21.6
|
1.0
|
F3
|
B:BEF130
|
2.8
|
25.7
|
1.0
|
N
|
B:ALA88
|
2.8
|
22.2
|
1.0
|
F2
|
B:BEF130
|
2.9
|
26.8
|
1.0
|
CE
|
B:LYS109
|
3.2
|
24.1
|
1.0
|
CD
|
B:LYS109
|
3.2
|
24.2
|
1.0
|
CA
|
B:THR87
|
3.5
|
21.2
|
1.0
|
C
|
B:THR87
|
3.6
|
21.4
|
1.0
|
CB
|
B:ALA88
|
3.7
|
23.5
|
1.0
|
OG1
|
B:THR87
|
3.8
|
21.8
|
1.0
|
CA
|
B:ALA88
|
3.8
|
23.2
|
1.0
|
CG
|
B:ASP57
|
3.8
|
20.5
|
1.0
|
O
|
B:HOH147
|
4.0
|
20.9
|
1.0
|
CB
|
B:THR87
|
4.1
|
21.2
|
1.0
|
O
|
B:HOH183
|
4.2
|
27.8
|
1.0
|
CE
|
B:MET59
|
4.2
|
29.0
|
1.0
|
MN
|
B:MN202
|
4.4
|
25.4
|
1.0
|
OD2
|
B:ASP57
|
4.4
|
18.9
|
1.0
|
O
|
B:VAL86
|
4.4
|
20.3
|
1.0
|
CG
|
B:LYS109
|
4.4
|
24.3
|
1.0
|
N
|
B:THR87
|
4.6
|
20.4
|
1.0
|
O
|
B:THR87
|
4.8
|
21.2
|
1.0
|
C
|
B:ALA88
|
4.9
|
23.5
|
1.0
|
N
|
B:ARG89
|
4.9
|
22.7
|
1.0
|
C
|
B:VAL86
|
4.9
|
20.6
|
1.0
|
OD2
|
B:ASP12
|
4.9
|
21.5
|
1.0
|
N
|
B:TRP58
|
5.0
|
21.3
|
1.0
|
CB
|
B:LYS109
|
5.0
|
25.2
|
1.0
|
|
Fluorine binding site 5 out
of 6 in 3fgz
Go back to
Fluorine Binding Sites List in 3fgz
Fluorine binding site 5 out
of 6 in the Crystal Structure of Chey Triple Mutant F14E, N59M, E89R Complexed with BEF3- and MN2+
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 Chey Triple Mutant F14E, N59M, E89R Complexed with BEF3- and MN2+ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F130
b:26.8
occ:1.00
|
F2
|
B:BEF130
|
0.0
|
26.8
|
1.0
|
BE
|
B:BEF130
|
1.7
|
26.2
|
1.0
|
MN
|
B:MN202
|
2.0
|
25.4
|
1.0
|
O
|
B:HOH178
|
2.8
|
26.7
|
1.0
|
OD1
|
B:ASP57
|
2.9
|
17.9
|
1.0
|
F3
|
B:BEF130
|
2.9
|
25.7
|
1.0
|
O
|
B:MET59
|
2.9
|
22.3
|
1.0
|
F1
|
B:BEF130
|
2.9
|
23.9
|
1.0
|
OD2
|
B:ASP57
|
3.0
|
18.9
|
1.0
|
O
|
B:HOH147
|
3.1
|
20.9
|
1.0
|
CB
|
B:MET59
|
3.3
|
22.8
|
1.0
|
CG
|
B:ASP57
|
3.3
|
20.5
|
1.0
|
N
|
B:MET59
|
3.6
|
21.8
|
1.0
|
CA
|
B:MET59
|
3.6
|
23.6
|
1.0
|
CE
|
B:MET59
|
3.7
|
29.0
|
1.0
|
C
|
B:MET59
|
3.7
|
23.1
|
1.0
|
OD1
|
B:ASP13
|
4.1
|
25.1
|
1.0
|
CG
|
B:MET59
|
4.2
|
25.3
|
1.0
|
NZ
|
B:LYS109
|
4.3
|
21.6
|
1.0
|
SD
|
B:MET59
|
4.6
|
28.1
|
1.0
|
C
|
B:TRP58
|
4.7
|
21.3
|
1.0
|
CB
|
B:ASP57
|
4.8
|
19.8
|
1.0
|
N
|
B:TRP58
|
4.8
|
21.3
|
1.0
|
OE1
|
B:GLU14
|
4.8
|
29.3
|
1.0
|
N
|
B:MET60
|
5.0
|
22.0
|
1.0
|
|
Fluorine binding site 6 out
of 6 in 3fgz
Go back to
Fluorine Binding Sites List in 3fgz
Fluorine binding site 6 out
of 6 in the Crystal Structure of Chey Triple Mutant F14E, N59M, E89R Complexed with BEF3- and MN2+
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 Chey Triple Mutant F14E, N59M, E89R Complexed with BEF3- and MN2+ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F130
b:25.7
occ:1.00
|
F3
|
B:BEF130
|
0.0
|
25.7
|
1.0
|
BE
|
B:BEF130
|
1.7
|
26.2
|
1.0
|
OG1
|
B:THR87
|
2.5
|
21.8
|
1.0
|
OD1
|
B:ASP57
|
2.7
|
17.9
|
1.0
|
N
|
B:MET59
|
2.7
|
21.8
|
1.0
|
F1
|
B:BEF130
|
2.8
|
23.9
|
1.0
|
F2
|
B:BEF130
|
2.9
|
26.8
|
1.0
|
N
|
B:TRP58
|
3.0
|
21.3
|
1.0
|
CB
|
B:TRP58
|
3.1
|
20.7
|
1.0
|
CA
|
B:TRP58
|
3.3
|
21.2
|
1.0
|
CB
|
B:THR87
|
3.4
|
21.2
|
1.0
|
C
|
B:TRP58
|
3.5
|
21.3
|
1.0
|
CE
|
B:MET59
|
3.5
|
29.0
|
1.0
|
CG
|
B:ASP57
|
3.6
|
20.5
|
1.0
|
CG
|
B:MET59
|
3.7
|
25.3
|
1.0
|
CB
|
B:MET59
|
3.7
|
22.8
|
1.0
|
CA
|
B:MET59
|
3.8
|
23.6
|
1.0
|
CA
|
B:THR87
|
3.9
|
21.2
|
1.0
|
N
|
B:ALA88
|
3.9
|
22.2
|
1.0
|
OD2
|
B:ASP57
|
4.2
|
18.9
|
1.0
|
C
|
B:ASP57
|
4.2
|
21.2
|
1.0
|
CG
|
B:TRP58
|
4.3
|
20.9
|
1.0
|
CG
|
B:ARG89
|
4.4
|
26.1
|
1.0
|
C
|
B:THR87
|
4.4
|
21.4
|
1.0
|
SD
|
B:MET59
|
4.5
|
28.1
|
1.0
|
MN
|
B:MN202
|
4.5
|
25.4
|
1.0
|
N
|
B:ARG89
|
4.5
|
22.7
|
1.0
|
CA
|
B:ASP57
|
4.6
|
20.9
|
1.0
|
O
|
B:MET59
|
4.6
|
22.3
|
1.0
|
C
|
B:MET59
|
4.7
|
23.1
|
1.0
|
CB
|
B:ASP57
|
4.7
|
19.8
|
1.0
|
O
|
B:TRP58
|
4.7
|
20.2
|
1.0
|
CG2
|
B:THR87
|
4.7
|
21.2
|
1.0
|
O
|
B:VAL86
|
4.9
|
20.3
|
1.0
|
CA
|
B:ALA88
|
4.9
|
23.2
|
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: Wed Jul 31 18:31:44 2024
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