Fluorine in PDB 7yzr: 50 Mm Rb+ Soak of Beryllium Fluoride Inhibited Na+,K+-Atpase, E2-Befx (Rigid Body Model)
Enzymatic activity of 50 Mm Rb+ Soak of Beryllium Fluoride Inhibited Na+,K+-Atpase, E2-Befx (Rigid Body Model)
All present enzymatic activity of 50 Mm Rb+ Soak of Beryllium Fluoride Inhibited Na+,K+-Atpase, E2-Befx (Rigid Body Model):
7.2.2.13;
Protein crystallography data
The structure of 50 Mm Rb+ Soak of Beryllium Fluoride Inhibited Na+,K+-Atpase, E2-Befx (Rigid Body Model), PDB code: 7yzr
was solved by
M.U.Fruergaard,
I.Dach,
J.L.Andersen,
M.Ozol,
A.Shasavar,
E.M.Quistgaard,
H.Poulsen,
N.U.Fedosova,
P.Nissen,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
24.99 /
6.92
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
118.94,
118.92,
496.9,
90,
90,
90
|
|
R / Rfree (%)
|
28.9 /
30.9
|
Other elements in 7yzr:
The structure of 50 Mm Rb+ Soak of Beryllium Fluoride Inhibited Na+,K+-Atpase, E2-Befx (Rigid Body Model) also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the 50 Mm Rb+ Soak of Beryllium Fluoride Inhibited Na+,K+-Atpase, E2-Befx (Rigid Body Model)
(pdb code 7yzr). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the
50 Mm Rb+ Soak of Beryllium Fluoride Inhibited Na+,K+-Atpase, E2-Befx (Rigid Body Model), PDB code: 7yzr:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
Fluorine binding site 1 out
of 6 in 7yzr
Go back to
Fluorine Binding Sites List in 7yzr
Fluorine binding site 1 out
of 6 in the 50 Mm Rb+ Soak of Beryllium Fluoride Inhibited Na+,K+-Atpase, E2-Befx (Rigid Body Model)
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of 50 Mm Rb+ Soak of Beryllium Fluoride Inhibited Na+,K+-Atpase, E2-Befx (Rigid Body Model) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1102
b:461.8
occ:1.00
|
F1
|
A:BEF1102
|
0.0
|
461.8
|
1.0
|
|
BE
|
A:BEF1102
|
1.5
|
467.2
|
1.0
|
|
H
|
A:GLY611
|
1.8
|
381.8
|
1.0
|
|
HA
|
A:THR610
|
1.8
|
389.4
|
1.0
|
|
HG1
|
A:THR610
|
2.0
|
373.5
|
1.0
|
|
HZ3
|
A:LYS691
|
2.2
|
371.0
|
1.0
|
|
OD1
|
A:ASP369
|
2.3
|
491.9
|
1.0
|
|
N
|
A:GLY611
|
2.5
|
382.2
|
1.0
|
|
F2
|
A:BEF1102
|
2.5
|
463.1
|
1.0
|
|
F3
|
A:BEF1102
|
2.5
|
478.2
|
1.0
|
|
CA
|
A:THR610
|
2.6
|
389.8
|
1.0
|
|
OG1
|
A:THR610
|
2.8
|
373.9
|
1.0
|
|
C
|
A:THR610
|
3.0
|
389.3
|
1.0
|
|
CG
|
A:ASP369
|
3.1
|
448.8
|
1.0
|
|
NZ
|
A:LYS691
|
3.1
|
371.4
|
1.0
|
|
CB
|
A:THR610
|
3.2
|
379.4
|
1.0
|
|
OD2
|
A:ASP369
|
3.3
|
494.5
|
1.0
|
|
HD22
|
A:ASN713
|
3.4
|
374.9
|
1.0
|
|
HZ2
|
A:LYS691
|
3.4
|
371.0
|
1.0
|
|
H
|
A:LYS370
|
3.5
|
347.2
|
1.0
|
|
HZ1
|
A:LYS691
|
3.5
|
371.0
|
1.0
|
|
H
|
A:ASP612
|
3.6
|
374.8
|
1.0
|
|
HB
|
A:THR610
|
3.6
|
379.0
|
1.0
|
|
HD21
|
A:ASN713
|
3.7
|
374.9
|
1.0
|
|
CA
|
A:GLY611
|
3.7
|
384.0
|
1.0
|
|
O
|
A:VAL609
|
3.7
|
374.9
|
1.0
|
|
N
|
A:THR610
|
3.8
|
392.8
|
1.0
|
|
ND2
|
A:ASN713
|
3.8
|
375.3
|
1.0
|
|
HA3
|
A:GLY611
|
3.9
|
383.6
|
1.0
|
|
HE2
|
A:LYS691
|
3.9
|
371.9
|
1.0
|
|
CE
|
A:LYS691
|
4.0
|
372.3
|
1.0
|
|
HE3
|
A:LYS691
|
4.0
|
371.9
|
1.0
|
|
HA3
|
A:GLY213
|
4.0
|
357.5
|
1.0
|
|
H
|
A:THR371
|
4.1
|
353.9
|
1.0
|
|
HA
|
A:ASP369
|
4.2
|
356.3
|
1.0
|
|
N
|
A:ASP612
|
4.2
|
375.2
|
1.0
|
|
C
|
A:VAL609
|
4.2
|
374.5
|
1.0
|
|
O
|
A:THR610
|
4.2
|
390.1
|
1.0
|
|
N
|
A:LYS370
|
4.3
|
347.6
|
1.0
|
|
HB3
|
A:LYS370
|
4.3
|
315.6
|
1.0
|
|
CB
|
A:ASP369
|
4.4
|
387.8
|
1.0
|
|
HA2
|
A:GLY611
|
4.4
|
383.6
|
1.0
|
|
MG
|
A:MG1101
|
4.4
|
393.9
|
1.0
|
|
OG1
|
A:THR371
|
4.4
|
368.9
|
1.0
|
|
HB2
|
A:ASP612
|
4.4
|
367.3
|
1.0
|
|
C
|
A:GLY611
|
4.4
|
383.0
|
1.0
|
|
H
|
A:THR610
|
4.5
|
392.4
|
1.0
|
|
HG1
|
A:THR371
|
4.6
|
368.5
|
1.0
|
|
CG2
|
A:THR610
|
4.6
|
380.8
|
1.0
|
|
HB2
|
A:ASP369
|
4.6
|
387.4
|
1.0
|
|
HG23
|
A:THR610
|
4.7
|
380.4
|
1.0
|
|
CA
|
A:ASP369
|
4.7
|
356.7
|
1.0
|
|
N
|
A:THR371
|
4.9
|
354.2
|
1.0
|
|
HB2
|
A:LYS370
|
4.9
|
315.6
|
1.0
|
|
O
|
A:GLY213
|
4.9
|
328.4
|
1.0
|
|
CA
|
A:GLY213
|
5.0
|
357.9
|
1.0
|
|
CB
|
A:LYS370
|
5.0
|
315.9
|
1.0
|
|
Fluorine binding site 2 out
of 6 in 7yzr
Go back to
Fluorine Binding Sites List in 7yzr
Fluorine binding site 2 out
of 6 in the 50 Mm Rb+ Soak of Beryllium Fluoride Inhibited Na+,K+-Atpase, E2-Befx (Rigid Body Model)
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of 50 Mm Rb+ Soak of Beryllium Fluoride Inhibited Na+,K+-Atpase, E2-Befx (Rigid Body Model) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1102
b:463.1
occ:1.00
|
F2
|
A:BEF1102
|
0.0
|
463.1
|
1.0
|
|
BE
|
A:BEF1102
|
1.6
|
467.2
|
1.0
|
|
OD2
|
A:ASP369
|
1.9
|
494.5
|
1.0
|
|
MG
|
A:MG1101
|
2.0
|
393.9
|
1.0
|
|
HG1
|
A:THR371
|
2.2
|
368.5
|
1.0
|
|
OD1
|
A:ASP369
|
2.2
|
491.9
|
1.0
|
|
OG1
|
A:THR371
|
2.3
|
368.9
|
1.0
|
|
CG
|
A:ASP369
|
2.3
|
448.8
|
1.0
|
|
F3
|
A:BEF1102
|
2.5
|
478.2
|
1.0
|
|
F1
|
A:BEF1102
|
2.5
|
461.8
|
1.0
|
|
H
|
A:THR371
|
2.6
|
353.9
|
1.0
|
|
HD21
|
A:ASN713
|
2.6
|
374.9
|
1.0
|
|
HA3
|
A:GLY213
|
3.2
|
357.5
|
1.0
|
|
N
|
A:THR371
|
3.3
|
354.2
|
1.0
|
|
ND2
|
A:ASN713
|
3.3
|
375.3
|
1.0
|
|
HD22
|
A:ASN713
|
3.4
|
374.9
|
1.0
|
|
HG1
|
A:THR610
|
3.4
|
373.5
|
1.0
|
|
CB
|
A:THR371
|
3.5
|
351.5
|
1.0
|
|
OD1
|
A:ASP710
|
3.6
|
401.4
|
1.0
|
|
HZ3
|
A:LYS691
|
3.6
|
371.0
|
1.0
|
|
H
|
A:LYS370
|
3.6
|
347.2
|
1.0
|
|
O
|
A:THR371
|
3.6
|
342.3
|
1.0
|
|
CA
|
A:THR371
|
3.8
|
346.0
|
1.0
|
|
CB
|
A:ASP369
|
3.8
|
387.8
|
1.0
|
|
HA2
|
A:GLY213
|
3.8
|
357.5
|
1.0
|
|
H
|
A:GLY611
|
3.9
|
381.8
|
1.0
|
|
OD2
|
A:ASP710
|
3.9
|
364.7
|
1.0
|
|
CA
|
A:GLY213
|
3.9
|
357.9
|
1.0
|
|
O
|
A:GLY213
|
4.0
|
328.4
|
1.0
|
|
N
|
A:LYS370
|
4.1
|
347.6
|
1.0
|
|
HB3
|
A:ASP369
|
4.1
|
387.4
|
1.0
|
|
C
|
A:THR371
|
4.1
|
350.2
|
1.0
|
|
HB3
|
A:LYS370
|
4.1
|
315.6
|
1.0
|
|
HA
|
A:THR610
|
4.1
|
389.4
|
1.0
|
|
HG23
|
A:THR371
|
4.1
|
344.0
|
1.0
|
|
OG1
|
A:THR610
|
4.2
|
373.9
|
1.0
|
|
CG
|
A:ASP710
|
4.2
|
362.5
|
1.0
|
|
HB
|
A:THR371
|
4.2
|
351.1
|
1.0
|
|
HZ1
|
A:LYS691
|
4.2
|
371.0
|
1.0
|
|
C
|
A:LYS370
|
4.2
|
353.9
|
1.0
|
|
NZ
|
A:LYS691
|
4.2
|
371.4
|
1.0
|
|
HB2
|
A:ASP369
|
4.3
|
387.4
|
1.0
|
|
CG2
|
A:THR371
|
4.3
|
344.4
|
1.0
|
|
HZ2
|
A:LYS691
|
4.4
|
371.0
|
1.0
|
|
C
|
A:GLY213
|
4.5
|
349.6
|
1.0
|
|
HG21
|
A:THR371
|
4.5
|
344.0
|
1.0
|
|
HG1
|
A:THR373
|
4.5
|
336.0
|
1.0
|
|
CG
|
A:ASN713
|
4.5
|
366.3
|
1.0
|
|
CA
|
A:LYS370
|
4.6
|
339.8
|
1.0
|
|
HA
|
A:ASP369
|
4.6
|
356.3
|
1.0
|
|
CA
|
A:ASP369
|
4.7
|
356.7
|
1.0
|
|
C
|
A:ASP369
|
4.7
|
346.7
|
1.0
|
|
N
|
A:GLY611
|
4.7
|
382.2
|
1.0
|
|
HA
|
A:THR371
|
4.7
|
345.6
|
1.0
|
|
CB
|
A:LYS370
|
4.8
|
315.9
|
1.0
|
|
CA
|
A:THR610
|
4.9
|
389.8
|
1.0
|
|
OD1
|
A:ASN713
|
5.0
|
365.5
|
1.0
|
|
Fluorine binding site 3 out
of 6 in 7yzr
Go back to
Fluorine Binding Sites List in 7yzr
Fluorine binding site 3 out
of 6 in the 50 Mm Rb+ Soak of Beryllium Fluoride Inhibited Na+,K+-Atpase, E2-Befx (Rigid Body Model)
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of 50 Mm Rb+ Soak of Beryllium Fluoride Inhibited Na+,K+-Atpase, E2-Befx (Rigid Body Model) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1102
b:478.2
occ:1.00
|
F3
|
A:BEF1102
|
0.0
|
478.2
|
1.0
|
|
BE
|
A:BEF1102
|
1.6
|
467.2
|
1.0
|
|
HG1
|
A:THR610
|
1.6
|
373.5
|
1.0
|
|
OG1
|
A:THR610
|
2.0
|
373.9
|
1.0
|
|
HB3
|
A:LYS370
|
2.1
|
315.6
|
1.0
|
|
H
|
A:THR371
|
2.2
|
353.9
|
1.0
|
|
F2
|
A:BEF1102
|
2.5
|
463.1
|
1.0
|
|
F1
|
A:BEF1102
|
2.5
|
461.8
|
1.0
|
|
OD1
|
A:ASP369
|
2.7
|
491.9
|
1.0
|
|
H
|
A:LYS370
|
2.8
|
347.2
|
1.0
|
|
HB2
|
A:ASP612
|
2.9
|
367.3
|
1.0
|
|
HG23
|
A:THR371
|
3.0
|
344.0
|
1.0
|
|
N
|
A:THR371
|
3.0
|
354.2
|
1.0
|
|
CB
|
A:LYS370
|
3.0
|
315.9
|
1.0
|
|
OG1
|
A:THR371
|
3.1
|
368.9
|
1.0
|
|
CB
|
A:THR610
|
3.2
|
379.4
|
1.0
|
|
HB2
|
A:LYS370
|
3.3
|
315.6
|
1.0
|
|
HB
|
A:THR610
|
3.4
|
379.0
|
1.0
|
|
HA
|
A:THR610
|
3.4
|
389.4
|
1.0
|
|
N
|
A:LYS370
|
3.4
|
347.6
|
1.0
|
|
H
|
A:GLY611
|
3.5
|
381.8
|
1.0
|
|
H
|
A:ASP612
|
3.5
|
374.8
|
1.0
|
|
CA
|
A:LYS370
|
3.6
|
339.8
|
1.0
|
|
HG1
|
A:THR371
|
3.6
|
368.5
|
1.0
|
|
HE3
|
A:LYS370
|
3.6
|
333.8
|
1.0
|
|
CG2
|
A:THR371
|
3.7
|
344.4
|
1.0
|
|
CG
|
A:ASP369
|
3.7
|
448.8
|
1.0
|
|
C
|
A:LYS370
|
3.7
|
353.9
|
1.0
|
|
CB
|
A:THR371
|
3.8
|
351.5
|
1.0
|
|
CA
|
A:THR610
|
3.8
|
389.8
|
1.0
|
|
CB
|
A:ASP612
|
3.9
|
367.7
|
1.0
|
|
HG21
|
A:THR371
|
3.9
|
344.0
|
1.0
|
|
CA
|
A:THR371
|
4.0
|
346.0
|
1.0
|
|
N
|
A:GLY611
|
4.0
|
382.2
|
1.0
|
|
OD2
|
A:ASP369
|
4.0
|
494.5
|
1.0
|
|
HD3
|
A:LYS370
|
4.1
|
333.5
|
1.0
|
|
CG
|
A:LYS370
|
4.1
|
311.8
|
1.0
|
|
HB3
|
A:ASP612
|
4.1
|
367.3
|
1.0
|
|
N
|
A:ASP612
|
4.2
|
375.2
|
1.0
|
|
O
|
A:GLY213
|
4.2
|
328.4
|
1.0
|
|
HG2
|
A:LYS370
|
4.3
|
311.4
|
1.0
|
|
MG
|
A:MG1101
|
4.3
|
393.9
|
1.0
|
|
C
|
A:THR610
|
4.3
|
389.3
|
1.0
|
|
CD
|
A:LYS370
|
4.4
|
333.9
|
1.0
|
|
CE
|
A:LYS370
|
4.4
|
334.1
|
1.0
|
|
CG2
|
A:THR610
|
4.5
|
380.8
|
1.0
|
|
OD2
|
A:ASP612
|
4.5
|
362.8
|
1.0
|
|
HA
|
A:LYS370
|
4.5
|
339.4
|
1.0
|
|
HG22
|
A:THR371
|
4.5
|
344.0
|
1.0
|
|
HA
|
A:THR371
|
4.6
|
345.6
|
1.0
|
|
HA3
|
A:GLY213
|
4.6
|
357.5
|
1.0
|
|
C
|
A:ASP369
|
4.6
|
346.7
|
1.0
|
|
HG23
|
A:THR610
|
4.6
|
380.4
|
1.0
|
|
HZ3
|
A:LYS691
|
4.6
|
371.0
|
1.0
|
|
CA
|
A:ASP612
|
4.6
|
381.0
|
1.0
|
|
HG21
|
A:THR610
|
4.7
|
380.4
|
1.0
|
|
HB
|
A:THR371
|
4.7
|
351.1
|
1.0
|
|
CG
|
A:ASP612
|
4.7
|
362.3
|
1.0
|
|
HA
|
A:ASP369
|
4.7
|
356.3
|
1.0
|
|
HE2
|
A:LYS370
|
4.9
|
333.8
|
1.0
|
|
HG3
|
A:LYS370
|
4.9
|
311.4
|
1.0
|
|
CB
|
A:ASP369
|
4.9
|
387.8
|
1.0
|
|
HD21
|
A:ASN713
|
4.9
|
374.9
|
1.0
|
|
O
|
A:LYS370
|
5.0
|
362.0
|
1.0
|
|
O
|
A:THR371
|
5.0
|
342.3
|
1.0
|
|
Fluorine binding site 4 out
of 6 in 7yzr
Go back to
Fluorine Binding Sites List in 7yzr
Fluorine binding site 4 out
of 6 in the 50 Mm Rb+ Soak of Beryllium Fluoride Inhibited Na+,K+-Atpase, E2-Befx (Rigid Body Model)
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of 50 Mm Rb+ Soak of Beryllium Fluoride Inhibited Na+,K+-Atpase, E2-Befx (Rigid Body Model) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F1102
b:403.7
occ:1.00
|
F1
|
C:BEF1102
|
0.0
|
403.7
|
1.0
|
|
BE
|
C:BEF1102
|
1.5
|
440.2
|
1.0
|
|
MG
|
C:MG1101
|
2.0
|
357.1
|
1.0
|
|
OD2
|
C:ASP369
|
2.2
|
482.1
|
1.0
|
|
HG1
|
C:THR371
|
2.2
|
441.6
|
1.0
|
|
HD22
|
C:ASN713
|
2.2
|
414.6
|
1.0
|
|
OG1
|
C:THR371
|
2.3
|
441.8
|
1.0
|
|
F3
|
C:BEF1102
|
2.5
|
459.7
|
1.0
|
|
HA2
|
C:GLY213
|
2.6
|
410.4
|
1.0
|
|
F2
|
C:BEF1102
|
2.6
|
474.5
|
1.0
|
|
ND2
|
C:ASN713
|
2.8
|
414.8
|
1.0
|
|
HD21
|
C:ASN713
|
2.8
|
414.6
|
1.0
|
|
CG
|
C:ASP369
|
3.0
|
466.7
|
1.0
|
|
OD1
|
C:ASP369
|
3.2
|
476.7
|
1.0
|
|
OD1
|
C:ASP710
|
3.2
|
416.4
|
1.0
|
|
HA3
|
C:GLY213
|
3.4
|
410.4
|
1.0
|
|
CA
|
C:GLY213
|
3.4
|
410.5
|
1.0
|
|
H
|
C:THR371
|
3.6
|
436.2
|
1.0
|
|
OG1
|
C:THR610
|
3.7
|
413.2
|
1.0
|
|
CB
|
C:THR371
|
3.8
|
436.6
|
1.0
|
|
H
|
C:GLY611
|
3.8
|
379.3
|
1.0
|
|
O
|
C:SER209
|
3.9
|
406.6
|
1.0
|
|
CG
|
C:ASN713
|
3.9
|
408.5
|
1.0
|
|
O
|
C:GLY213
|
4.0
|
407.8
|
1.0
|
|
O
|
C:THR371
|
4.1
|
434.2
|
1.0
|
|
HZ1
|
C:LYS691
|
4.1
|
400.5
|
1.0
|
|
N
|
C:THR371
|
4.2
|
436.4
|
1.0
|
|
C
|
C:GLY213
|
4.2
|
417.0
|
1.0
|
|
HB
|
C:THR371
|
4.2
|
436.5
|
1.0
|
|
CG
|
C:ASP710
|
4.2
|
395.0
|
1.0
|
|
CB
|
C:ASP369
|
4.3
|
438.2
|
1.0
|
|
HG23
|
C:THR371
|
4.4
|
437.7
|
1.0
|
|
CA
|
C:THR371
|
4.4
|
433.2
|
1.0
|
|
OD2
|
C:ASP710
|
4.4
|
393.1
|
1.0
|
|
N
|
C:GLY213
|
4.4
|
415.6
|
1.0
|
|
CG2
|
C:THR371
|
4.5
|
437.8
|
1.0
|
|
HB2
|
C:ASP369
|
4.5
|
438.1
|
1.0
|
|
HB3
|
C:ASP369
|
4.5
|
438.1
|
1.0
|
|
HG21
|
C:THR371
|
4.5
|
437.7
|
1.0
|
|
H
|
C:GLY213
|
4.6
|
415.5
|
1.0
|
|
C
|
C:THR371
|
4.6
|
428.6
|
1.0
|
|
OD1
|
C:ASN713
|
4.6
|
403.3
|
1.0
|
|
HB3
|
C:ASN713
|
4.6
|
407.3
|
1.0
|
|
HZ2
|
C:LYS691
|
4.7
|
400.5
|
1.0
|
|
H
|
C:LYS370
|
4.7
|
431.7
|
1.0
|
|
HA
|
C:THR610
|
4.7
|
393.0
|
1.0
|
|
N
|
C:GLY611
|
4.7
|
379.5
|
1.0
|
|
NZ
|
C:LYS691
|
4.7
|
400.6
|
1.0
|
|
HZ3
|
C:LYS691
|
4.7
|
400.5
|
1.0
|
|
H
|
C:GLY711
|
4.8
|
368.9
|
1.0
|
|
CB
|
C:ASN713
|
4.8
|
407.4
|
1.0
|
|
CB
|
C:THR610
|
4.9
|
394.6
|
1.0
|
|
HA
|
C:SER210
|
5.0
|
413.1
|
1.0
|
|
HB2
|
C:ASN713
|
5.0
|
407.3
|
1.0
|
|
Fluorine binding site 5 out
of 6 in 7yzr
Go back to
Fluorine Binding Sites List in 7yzr
Fluorine binding site 5 out
of 6 in the 50 Mm Rb+ Soak of Beryllium Fluoride Inhibited Na+,K+-Atpase, E2-Befx (Rigid Body Model)
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of 50 Mm Rb+ Soak of Beryllium Fluoride Inhibited Na+,K+-Atpase, E2-Befx (Rigid Body Model) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F1102
b:474.5
occ:1.00
|
F2
|
C:BEF1102
|
0.0
|
474.5
|
1.0
|
|
BE
|
C:BEF1102
|
1.6
|
440.2
|
1.0
|
|
OG1
|
C:THR610
|
1.6
|
413.2
|
1.0
|
|
H
|
C:THR371
|
2.3
|
436.2
|
1.0
|
|
OD1
|
C:ASP369
|
2.5
|
476.7
|
1.0
|
|
F3
|
C:BEF1102
|
2.5
|
459.7
|
1.0
|
|
F1
|
C:BEF1102
|
2.6
|
403.7
|
1.0
|
|
OG1
|
C:THR371
|
2.7
|
441.8
|
1.0
|
|
OD2
|
C:ASP369
|
2.7
|
482.1
|
1.0
|
|
HG1
|
C:THR371
|
2.8
|
441.6
|
1.0
|
|
H
|
C:GLY611
|
2.9
|
379.3
|
1.0
|
|
HG23
|
C:THR371
|
2.9
|
437.7
|
1.0
|
|
HB3
|
C:LYS370
|
3.0
|
420.7
|
1.0
|
|
CG
|
C:ASP369
|
3.0
|
466.7
|
1.0
|
|
CB
|
C:THR610
|
3.0
|
394.6
|
1.0
|
|
MG
|
C:MG1101
|
3.1
|
357.1
|
1.0
|
|
N
|
C:THR371
|
3.2
|
436.4
|
1.0
|
|
H
|
C:LYS370
|
3.2
|
431.7
|
1.0
|
|
O
|
C:GLY213
|
3.3
|
407.8
|
1.0
|
|
HB
|
C:THR610
|
3.5
|
394.5
|
1.0
|
|
HB2
|
C:LYS370
|
3.5
|
420.7
|
1.0
|
|
CG2
|
C:THR371
|
3.6
|
437.8
|
1.0
|
|
N
|
C:GLY611
|
3.6
|
379.5
|
1.0
|
|
HG23
|
C:THR610
|
3.6
|
388.7
|
1.0
|
|
CB
|
C:THR371
|
3.6
|
436.6
|
1.0
|
|
CB
|
C:LYS370
|
3.6
|
420.8
|
1.0
|
|
H
|
C:ASP612
|
3.7
|
392.0
|
1.0
|
|
HB2
|
C:ASP612
|
3.7
|
380.3
|
1.0
|
|
HG21
|
C:THR371
|
3.8
|
437.7
|
1.0
|
|
HA2
|
C:GLY213
|
3.8
|
410.4
|
1.0
|
|
HA
|
C:THR610
|
3.8
|
393.0
|
1.0
|
|
N
|
C:LYS370
|
3.8
|
431.8
|
1.0
|
|
HA3
|
C:GLY213
|
3.8
|
410.4
|
1.0
|
|
CG2
|
C:THR610
|
3.8
|
388.9
|
1.0
|
|
HE3
|
C:LYS370
|
3.9
|
431.5
|
1.0
|
|
CA
|
C:THR610
|
3.9
|
393.2
|
1.0
|
|
CA
|
C:THR371
|
4.0
|
433.2
|
1.0
|
|
C
|
C:LYS370
|
4.0
|
432.6
|
1.0
|
|
CA
|
C:LYS370
|
4.0
|
429.2
|
1.0
|
|
C
|
C:THR610
|
4.1
|
390.0
|
1.0
|
|
HG21
|
C:THR610
|
4.1
|
388.7
|
1.0
|
|
CA
|
C:GLY213
|
4.1
|
410.5
|
1.0
|
|
C
|
C:GLY213
|
4.2
|
417.0
|
1.0
|
|
N
|
C:ASP612
|
4.2
|
392.1
|
1.0
|
|
HD22
|
C:ASN713
|
4.3
|
414.6
|
1.0
|
|
HG22
|
C:THR371
|
4.4
|
437.7
|
1.0
|
|
HB
|
C:THR371
|
4.4
|
436.5
|
1.0
|
|
CB
|
C:ASP612
|
4.5
|
380.5
|
1.0
|
|
CB
|
C:ASP369
|
4.5
|
438.2
|
1.0
|
|
HB3
|
C:ASP612
|
4.6
|
380.3
|
1.0
|
|
CA
|
C:GLY611
|
4.6
|
387.3
|
1.0
|
|
HD21
|
C:ASN713
|
4.7
|
414.6
|
1.0
|
|
HG22
|
C:THR610
|
4.7
|
388.7
|
1.0
|
|
HA
|
C:THR371
|
4.7
|
433.1
|
1.0
|
|
O
|
C:THR371
|
4.8
|
434.2
|
1.0
|
|
HZ1
|
C:LYS691
|
4.8
|
400.5
|
1.0
|
|
CE
|
C:LYS370
|
4.8
|
431.6
|
1.0
|
|
HA3
|
C:GLY611
|
4.8
|
387.2
|
1.0
|
|
C
|
C:GLY611
|
4.8
|
398.7
|
1.0
|
|
ND2
|
C:ASN713
|
4.9
|
414.8
|
1.0
|
|
C
|
C:ASP369
|
4.9
|
427.4
|
1.0
|
|
C
|
C:THR371
|
4.9
|
428.6
|
1.0
|
|
HA
|
C:ASP369
|
4.9
|
422.9
|
1.0
|
|
CG
|
C:LYS370
|
4.9
|
424.2
|
1.0
|
|
HB2
|
C:ASP369
|
4.9
|
438.1
|
1.0
|
|
HD3
|
C:LYS370
|
4.9
|
430.3
|
1.0
|
|
HB3
|
C:ASP369
|
5.0
|
438.1
|
1.0
|
|
Fluorine binding site 6 out
of 6 in 7yzr
Go back to
Fluorine Binding Sites List in 7yzr
Fluorine binding site 6 out
of 6 in the 50 Mm Rb+ Soak of Beryllium Fluoride Inhibited Na+,K+-Atpase, E2-Befx (Rigid Body Model)
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of 50 Mm Rb+ Soak of Beryllium Fluoride Inhibited Na+,K+-Atpase, E2-Befx (Rigid Body Model) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F1102
b:459.7
occ:1.00
|
F3
|
C:BEF1102
|
0.0
|
459.7
|
1.0
|
|
BE
|
C:BEF1102
|
1.5
|
440.2
|
1.0
|
|
H
|
C:GLY611
|
1.6
|
379.3
|
1.0
|
|
OD2
|
C:ASP369
|
2.1
|
482.1
|
1.0
|
|
N
|
C:GLY611
|
2.4
|
379.5
|
1.0
|
|
HZ1
|
C:LYS691
|
2.4
|
400.5
|
1.0
|
|
F1
|
C:BEF1102
|
2.5
|
403.7
|
1.0
|
|
F2
|
C:BEF1102
|
2.5
|
474.5
|
1.0
|
|
OG1
|
C:THR610
|
2.5
|
413.2
|
1.0
|
|
HA
|
C:THR610
|
2.6
|
393.0
|
1.0
|
|
HA3
|
C:GLY213
|
2.6
|
410.4
|
1.0
|
|
HD22
|
C:ASN713
|
2.6
|
414.6
|
1.0
|
|
CA
|
C:THR610
|
3.1
|
393.2
|
1.0
|
|
HA2
|
C:GLY213
|
3.1
|
410.4
|
1.0
|
|
C
|
C:THR610
|
3.2
|
390.0
|
1.0
|
|
HA3
|
C:GLY611
|
3.2
|
387.2
|
1.0
|
|
CG
|
C:ASP369
|
3.2
|
466.7
|
1.0
|
|
NZ
|
C:LYS691
|
3.3
|
400.6
|
1.0
|
|
ND2
|
C:ASN713
|
3.3
|
414.8
|
1.0
|
|
CA
|
C:GLY213
|
3.3
|
410.5
|
1.0
|
|
HD21
|
C:ASN713
|
3.3
|
414.6
|
1.0
|
|
CA
|
C:GLY611
|
3.3
|
387.3
|
1.0
|
|
CB
|
C:THR610
|
3.4
|
394.6
|
1.0
|
|
HZ3
|
C:LYS691
|
3.4
|
400.5
|
1.0
|
|
HZ2
|
C:LYS691
|
3.6
|
400.5
|
1.0
|
|
OD1
|
C:ASP369
|
3.7
|
476.7
|
1.0
|
|
MG
|
C:MG1101
|
3.8
|
357.1
|
1.0
|
|
HB
|
C:THR610
|
3.9
|
394.5
|
1.0
|
|
O
|
C:GLY213
|
4.0
|
407.8
|
1.0
|
|
H
|
C:ASP612
|
4.0
|
392.0
|
1.0
|
|
HA2
|
C:GLY611
|
4.1
|
387.2
|
1.0
|
|
HG1
|
C:THR371
|
4.1
|
441.6
|
1.0
|
|
C
|
C:GLY213
|
4.1
|
417.0
|
1.0
|
|
OG1
|
C:THR371
|
4.2
|
441.8
|
1.0
|
|
C
|
C:GLY611
|
4.2
|
398.7
|
1.0
|
|
HE3
|
C:LYS691
|
4.3
|
399.8
|
1.0
|
|
CE
|
C:LYS691
|
4.3
|
399.9
|
1.0
|
|
N
|
C:GLY213
|
4.4
|
415.6
|
1.0
|
|
HB2
|
C:ASP369
|
4.4
|
438.1
|
1.0
|
|
N
|
C:ASP612
|
4.4
|
392.1
|
1.0
|
|
O
|
C:THR610
|
4.4
|
395.3
|
1.0
|
|
H
|
C:LYS370
|
4.4
|
431.7
|
1.0
|
|
HG23
|
C:THR610
|
4.4
|
388.7
|
1.0
|
|
O
|
C:THR212
|
4.5
|
426.7
|
1.0
|
|
HE2
|
C:LYS691
|
4.5
|
399.8
|
1.0
|
|
CB
|
C:ASP369
|
4.5
|
438.2
|
1.0
|
|
N
|
C:THR610
|
4.5
|
387.7
|
1.0
|
|
CG
|
C:ASN713
|
4.5
|
408.5
|
1.0
|
|
CG2
|
C:THR610
|
4.5
|
388.9
|
1.0
|
|
H
|
C:THR371
|
4.6
|
436.2
|
1.0
|
|
HB2
|
C:ASN713
|
4.6
|
407.3
|
1.0
|
|
O
|
C:VAL609
|
4.7
|
358.3
|
1.0
|
|
C
|
C:THR212
|
4.8
|
418.9
|
1.0
|
|
HB3
|
C:ASN713
|
4.9
|
407.3
|
1.0
|
|
H
|
C:GLY213
|
4.9
|
415.5
|
1.0
|
|
CB
|
C:ASN713
|
4.9
|
407.4
|
1.0
|
|
Reference:
M.U.Fruergaard,
I.Dach,
J.L.Andersen,
M.Ozol,
A.Shahsavar,
E.M.Quistgaard,
H.Poulsen,
N.U.Fedosova,
P.Nissen.
The Na + ,K + -Atpase in Complex with Beryllium Fluoride Mimics An Atpase Phosphorylated State. J.Biol.Chem. V. 298 02317 2022.
ISSN: ESSN 1083-351X
PubMed: 35926706
DOI: 10.1016/J.JBC.2022.102317
Page generated: Fri Aug 2 16:02:47 2024
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