Fluorine in PDB 1wpg: Crystal Structure of the Sr CA2+-Atpase with MGF4
Enzymatic activity of Crystal Structure of the Sr CA2+-Atpase with MGF4
All present enzymatic activity of Crystal Structure of the Sr CA2+-Atpase with MGF4:
3.6.3.8;
Protein crystallography data
The structure of Crystal Structure of the Sr CA2+-Atpase with MGF4, PDB code: 1wpg
was solved by
C.Toyoshima,
H.Nomura,
T.Tsuda,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
15.00 /
2.30
|
|
Space group
|
P 1 21 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
102.210,
275.394,
109.945,
90.00,
90.01,
90.00
|
|
R / Rfree (%)
|
22.3 /
24.5
|
Other elements in 1wpg:
The structure of Crystal Structure of the Sr CA2+-Atpase with MGF4 also contains other interesting chemical elements:
Fluorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
16;
Binding sites:
The binding sites of Fluorine atom in the Crystal Structure of the Sr CA2+-Atpase with MGF4
(pdb code 1wpg). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 16 binding sites of Fluorine where determined in the
Crystal Structure of the Sr CA2+-Atpase with MGF4, PDB code: 1wpg:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 16 in 1wpg
Go back to
Fluorine Binding Sites List in 1wpg
Fluorine binding site 1 out
of 16 in the Crystal Structure of the Sr CA2+-Atpase with MGF4
 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 Sr CA2+-Atpase with MGF4 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F998
b:26.7
occ:1.00
|
F1
|
A:MF4998
|
0.0
|
26.7
|
1.0
|
|
MG
|
A:MF4998
|
1.8
|
31.2
|
1.0
|
|
OD2
|
A:ASP351
|
2.5
|
22.8
|
1.0
|
|
NZ
|
A:LYS684
|
2.7
|
22.7
|
1.0
|
|
F2
|
A:MF4998
|
2.9
|
32.7
|
1.0
|
|
F4
|
A:MF4998
|
2.9
|
22.3
|
1.0
|
|
F3
|
A:MF4998
|
2.9
|
25.4
|
1.0
|
|
ND2
|
A:ASN706
|
3.0
|
22.5
|
1.0
|
|
N
|
A:GLY626
|
3.0
|
22.9
|
1.0
|
|
O
|
A:THR181
|
3.5
|
24.8
|
1.0
|
|
CA
|
A:THR625
|
3.6
|
22.6
|
1.0
|
|
CE
|
A:LYS684
|
3.6
|
24.3
|
1.0
|
|
CG
|
A:ASP351
|
3.7
|
26.2
|
1.0
|
|
C
|
A:THR625
|
3.8
|
21.4
|
1.0
|
|
OG1
|
A:THR625
|
3.9
|
24.6
|
1.0
|
|
O
|
A:HOH2105
|
4.0
|
30.1
|
1.0
|
|
CA
|
A:GLY626
|
4.0
|
25.1
|
1.0
|
|
CG
|
A:ASN706
|
4.1
|
29.4
|
1.0
|
|
O
|
A:ILE624
|
4.1
|
25.2
|
1.0
|
|
CB
|
A:THR625
|
4.3
|
21.9
|
1.0
|
|
OD1
|
A:ASN706
|
4.3
|
30.2
|
1.0
|
|
C
|
A:THR181
|
4.3
|
25.8
|
1.0
|
|
OD1
|
A:ASP707
|
4.4
|
27.2
|
1.0
|
|
OD1
|
A:ASP351
|
4.4
|
22.4
|
1.0
|
|
CA
|
A:GLY182
|
4.4
|
23.1
|
1.0
|
|
MG
|
A:MG997
|
4.6
|
25.5
|
1.0
|
|
O
|
A:HOH2098
|
4.7
|
20.8
|
1.0
|
|
N
|
A:THR625
|
4.7
|
22.2
|
1.0
|
|
N
|
A:GLY182
|
4.7
|
24.8
|
1.0
|
|
CB
|
A:ASP351
|
4.8
|
22.1
|
1.0
|
|
C
|
A:ILE624
|
4.8
|
26.1
|
1.0
|
|
O
|
A:THR625
|
4.9
|
24.7
|
1.0
|
|
N
|
A:LYS352
|
5.0
|
26.8
|
1.0
|
|
Fluorine binding site 2 out
of 16 in 1wpg
Go back to
Fluorine Binding Sites List in 1wpg
Fluorine binding site 2 out
of 16 in the Crystal Structure of the Sr CA2+-Atpase with MGF4
 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 Sr CA2+-Atpase with MGF4 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F998
b:32.7
occ:1.00
|
F2
|
A:MF4998
|
0.0
|
32.7
|
1.0
|
|
MG
|
A:MF4998
|
1.8
|
31.2
|
1.0
|
|
OE1
|
A:GLU183
|
2.7
|
38.3
|
1.0
|
|
O
|
A:THR181
|
2.8
|
24.8
|
1.0
|
|
F1
|
A:MF4998
|
2.9
|
26.7
|
1.0
|
|
F4
|
A:MF4998
|
2.9
|
22.3
|
1.0
|
|
F3
|
A:MF4998
|
2.9
|
25.4
|
1.0
|
|
OG1
|
A:THR625
|
3.1
|
24.6
|
1.0
|
|
N
|
A:GLY626
|
3.4
|
22.9
|
1.0
|
|
CD
|
A:GLU183
|
3.4
|
35.8
|
1.0
|
|
N
|
A:ASP627
|
3.6
|
23.7
|
1.0
|
|
OG1
|
A:THR353
|
3.6
|
31.9
|
1.0
|
|
CG
|
A:GLU183
|
3.7
|
28.5
|
1.0
|
|
C
|
A:GLY182
|
3.8
|
25.5
|
1.0
|
|
CB
|
A:THR353
|
3.9
|
27.7
|
1.0
|
|
CA
|
A:GLY182
|
3.9
|
23.1
|
1.0
|
|
C
|
A:THR181
|
3.9
|
25.8
|
1.0
|
|
CA
|
A:GLY626
|
3.9
|
25.1
|
1.0
|
|
N
|
A:GLU183
|
4.0
|
25.2
|
1.0
|
|
C
|
A:GLY626
|
4.0
|
22.0
|
1.0
|
|
O
|
A:GLY182
|
4.2
|
21.5
|
1.0
|
|
CB
|
A:ASP627
|
4.3
|
25.5
|
1.0
|
|
OD2
|
A:ASP351
|
4.3
|
22.8
|
1.0
|
|
CB
|
A:THR625
|
4.4
|
21.9
|
1.0
|
|
N
|
A:GLY182
|
4.4
|
24.8
|
1.0
|
|
CA
|
A:ASP627
|
4.4
|
25.0
|
1.0
|
|
C
|
A:THR625
|
4.4
|
21.4
|
1.0
|
|
OE2
|
A:GLU183
|
4.5
|
29.1
|
1.0
|
|
CA
|
A:THR625
|
4.6
|
22.6
|
1.0
|
|
N
|
A:THR353
|
4.6
|
28.1
|
1.0
|
|
CA
|
A:GLU183
|
4.7
|
28.3
|
1.0
|
|
CB
|
A:GLU183
|
4.8
|
26.1
|
1.0
|
|
MG
|
A:MG997
|
4.8
|
25.5
|
1.0
|
|
CA
|
A:THR353
|
4.9
|
28.1
|
1.0
|
|
ND2
|
A:ASN706
|
4.9
|
22.5
|
1.0
|
|
CG2
|
A:THR353
|
4.9
|
28.4
|
1.0
|
|
Fluorine binding site 3 out
of 16 in 1wpg
Go back to
Fluorine Binding Sites List in 1wpg
Fluorine binding site 3 out
of 16 in the Crystal Structure of the Sr CA2+-Atpase with MGF4
 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 Sr CA2+-Atpase with MGF4 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F998
b:25.4
occ:1.00
|
F3
|
A:MF4998
|
0.0
|
25.4
|
1.0
|
|
MG
|
A:MF4998
|
1.8
|
31.2
|
1.0
|
|
OG1
|
A:THR625
|
2.5
|
24.6
|
1.0
|
|
OD2
|
A:ASP351
|
2.5
|
22.8
|
1.0
|
|
N
|
A:LYS352
|
2.7
|
26.8
|
1.0
|
|
F4
|
A:MF4998
|
2.9
|
22.3
|
1.0
|
|
F2
|
A:MF4998
|
2.9
|
32.7
|
1.0
|
|
F1
|
A:MF4998
|
2.9
|
26.7
|
1.0
|
|
N
|
A:THR353
|
2.9
|
28.1
|
1.0
|
|
CB
|
A:THR625
|
3.0
|
21.9
|
1.0
|
|
CB
|
A:LYS352
|
3.2
|
24.6
|
1.0
|
|
CA
|
A:LYS352
|
3.3
|
27.5
|
1.0
|
|
CG
|
A:ASP351
|
3.4
|
26.2
|
1.0
|
|
CA
|
A:THR625
|
3.5
|
22.6
|
1.0
|
|
C
|
A:LYS352
|
3.5
|
28.5
|
1.0
|
|
C
|
A:ASP351
|
3.9
|
27.8
|
1.0
|
|
OD1
|
A:ASP351
|
3.9
|
22.4
|
1.0
|
|
OG1
|
A:THR353
|
3.9
|
31.9
|
1.0
|
|
CB
|
A:THR353
|
4.0
|
27.7
|
1.0
|
|
CA
|
A:THR353
|
4.0
|
28.1
|
1.0
|
|
N
|
A:GLY626
|
4.1
|
22.9
|
1.0
|
|
CA
|
A:ASP351
|
4.2
|
26.2
|
1.0
|
|
O
|
A:ILE624
|
4.2
|
25.2
|
1.0
|
|
CG
|
A:LYS352
|
4.3
|
25.9
|
1.0
|
|
C
|
A:THR625
|
4.3
|
21.4
|
1.0
|
|
CB
|
A:ASP351
|
4.4
|
22.1
|
1.0
|
|
MG
|
A:MG997
|
4.4
|
25.5
|
1.0
|
|
CG2
|
A:THR625
|
4.5
|
15.3
|
1.0
|
|
OE1
|
A:GLU183
|
4.5
|
38.3
|
1.0
|
|
N
|
A:THR625
|
4.6
|
22.2
|
1.0
|
|
O
|
A:THR353
|
4.6
|
25.9
|
1.0
|
|
NZ
|
A:LYS684
|
4.6
|
22.7
|
1.0
|
|
O
|
A:LYS352
|
4.7
|
29.5
|
1.0
|
|
NZ
|
A:LYS352
|
4.8
|
23.1
|
1.0
|
|
C
|
A:THR353
|
4.8
|
28.8
|
1.0
|
|
C
|
A:ILE624
|
4.8
|
26.1
|
1.0
|
|
O
|
A:ASP351
|
4.9
|
26.0
|
1.0
|
|
N
|
A:ASP627
|
5.0
|
23.7
|
1.0
|
|
Fluorine binding site 4 out
of 16 in 1wpg
Go back to
Fluorine Binding Sites List in 1wpg
Fluorine binding site 4 out
of 16 in the Crystal Structure of the Sr CA2+-Atpase with MGF4
 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 Sr CA2+-Atpase with MGF4 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F998
b:22.3
occ:1.00
|
F4
|
A:MF4998
|
0.0
|
22.3
|
1.0
|
|
MG
|
A:MF4998
|
1.8
|
31.2
|
1.0
|
|
MG
|
A:MG997
|
2.0
|
25.5
|
1.0
|
|
OD2
|
A:ASP351
|
2.6
|
22.8
|
1.0
|
|
O
|
A:HOH2105
|
2.8
|
30.1
|
1.0
|
|
OD1
|
A:ASP351
|
2.9
|
22.4
|
1.0
|
|
F3
|
A:MF4998
|
2.9
|
25.4
|
1.0
|
|
F2
|
A:MF4998
|
2.9
|
32.7
|
1.0
|
|
F1
|
A:MF4998
|
2.9
|
26.7
|
1.0
|
|
O
|
A:HOH2100
|
3.0
|
25.3
|
1.0
|
|
CG
|
A:ASP351
|
3.1
|
26.2
|
1.0
|
|
O
|
A:THR353
|
3.1
|
25.9
|
1.0
|
|
CB
|
A:THR353
|
3.4
|
27.7
|
1.0
|
|
CA
|
A:GLY182
|
3.7
|
23.1
|
1.0
|
|
N
|
A:THR353
|
3.8
|
28.1
|
1.0
|
|
O
|
A:GLY182
|
3.8
|
21.5
|
1.0
|
|
CA
|
A:THR353
|
3.8
|
28.1
|
1.0
|
|
C
|
A:THR353
|
3.9
|
28.8
|
1.0
|
|
OD1
|
A:ASP703
|
4.0
|
27.5
|
1.0
|
|
C
|
A:GLY182
|
4.0
|
25.5
|
1.0
|
|
OG1
|
A:THR353
|
4.2
|
31.9
|
1.0
|
|
O
|
A:THR181
|
4.3
|
24.8
|
1.0
|
|
CG2
|
A:THR353
|
4.4
|
28.4
|
1.0
|
|
OD1
|
A:ASN706
|
4.5
|
30.2
|
1.0
|
|
CB
|
A:ASP351
|
4.6
|
22.1
|
1.0
|
|
N
|
A:LYS352
|
4.6
|
26.8
|
1.0
|
|
ND2
|
A:ASN706
|
4.6
|
22.5
|
1.0
|
|
C
|
A:LYS352
|
4.6
|
28.5
|
1.0
|
|
N
|
A:GLY182
|
4.8
|
24.8
|
1.0
|
|
OE1
|
A:GLU183
|
4.8
|
38.3
|
1.0
|
|
NZ
|
A:LYS684
|
4.8
|
22.7
|
1.0
|
|
OD2
|
A:ASP707
|
4.9
|
27.8
|
1.0
|
|
OG1
|
A:THR625
|
4.9
|
24.6
|
1.0
|
|
C
|
A:THR181
|
5.0
|
25.8
|
1.0
|
|
N
|
A:GLU183
|
5.0
|
25.2
|
1.0
|
|
Fluorine binding site 5 out
of 16 in 1wpg
Go back to
Fluorine Binding Sites List in 1wpg
Fluorine binding site 5 out
of 16 in the Crystal Structure of the Sr CA2+-Atpase with MGF4
 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 Sr CA2+-Atpase with MGF4 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F1098
b:20.7
occ:1.00
|
F1
|
B:MF41098
|
0.0
|
20.7
|
1.0
|
|
MG
|
B:MF41098
|
1.8
|
27.1
|
1.0
|
|
OD2
|
B:ASP351
|
2.5
|
16.8
|
1.0
|
|
OG1
|
B:THR625
|
2.6
|
21.4
|
1.0
|
|
N
|
B:THR353
|
2.8
|
18.9
|
1.0
|
|
N
|
B:LYS352
|
2.8
|
17.6
|
1.0
|
|
F2
|
B:MF41098
|
2.9
|
23.8
|
1.0
|
|
F4
|
B:MF41098
|
2.9
|
22.4
|
1.0
|
|
F3
|
B:MF41098
|
2.9
|
25.7
|
1.0
|
|
CB
|
B:THR625
|
3.2
|
22.1
|
1.0
|
|
CB
|
B:LYS352
|
3.2
|
15.5
|
1.0
|
|
CA
|
B:LYS352
|
3.3
|
18.3
|
1.0
|
|
CG
|
B:ASP351
|
3.4
|
16.6
|
1.0
|
|
C
|
B:LYS352
|
3.5
|
20.3
|
1.0
|
|
CA
|
B:THR625
|
3.6
|
22.3
|
1.0
|
|
OG1
|
B:THR353
|
3.7
|
22.4
|
1.0
|
|
CB
|
B:THR353
|
3.8
|
20.1
|
1.0
|
|
CA
|
B:THR353
|
3.8
|
20.9
|
1.0
|
|
C
|
B:ASP351
|
3.9
|
21.0
|
1.0
|
|
OD1
|
B:ASP351
|
4.0
|
14.0
|
1.0
|
|
N
|
B:GLY626
|
4.1
|
23.2
|
1.0
|
|
CG
|
B:LYS352
|
4.2
|
20.6
|
1.0
|
|
CA
|
B:ASP351
|
4.3
|
21.0
|
1.0
|
|
O
|
B:ILE624
|
4.3
|
24.1
|
1.0
|
|
OE1
|
B:GLU183
|
4.4
|
23.7
|
1.0
|
|
C
|
B:THR625
|
4.4
|
20.5
|
1.0
|
|
MG
|
B:MG997
|
4.4
|
22.6
|
1.0
|
|
CB
|
B:ASP351
|
4.5
|
18.8
|
1.0
|
|
NZ
|
B:LYS352
|
4.6
|
27.9
|
1.0
|
|
CG2
|
B:THR625
|
4.6
|
16.4
|
1.0
|
|
O
|
B:THR353
|
4.6
|
25.4
|
1.0
|
|
O
|
B:LYS352
|
4.7
|
17.1
|
1.0
|
|
NZ
|
B:LYS684
|
4.7
|
17.4
|
1.0
|
|
C
|
B:THR353
|
4.7
|
21.9
|
1.0
|
|
N
|
B:THR625
|
4.7
|
24.3
|
1.0
|
|
CD
|
B:LYS352
|
4.7
|
27.2
|
1.0
|
|
N
|
B:ASP627
|
4.9
|
20.5
|
1.0
|
|
C
|
B:ILE624
|
4.9
|
25.6
|
1.0
|
|
O
|
B:ASP351
|
5.0
|
18.8
|
1.0
|
|
Fluorine binding site 6 out
of 16 in 1wpg
Go back to
Fluorine Binding Sites List in 1wpg
Fluorine binding site 6 out
of 16 in the Crystal Structure of the Sr CA2+-Atpase with MGF4
 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 Sr CA2+-Atpase with MGF4 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F1098
b:23.8
occ:1.00
|
F2
|
B:MF41098
|
0.0
|
23.8
|
1.0
|
|
MG
|
B:MF41098
|
1.7
|
27.1
|
1.0
|
|
OD2
|
B:ASP351
|
2.5
|
16.8
|
1.0
|
|
NZ
|
B:LYS684
|
2.8
|
17.4
|
1.0
|
|
F3
|
B:MF41098
|
2.9
|
25.7
|
1.0
|
|
F1
|
B:MF41098
|
2.9
|
20.7
|
1.0
|
|
F4
|
B:MF41098
|
2.9
|
22.4
|
1.0
|
|
ND2
|
B:ASN706
|
3.0
|
18.3
|
1.0
|
|
N
|
B:GLY626
|
3.1
|
23.2
|
1.0
|
|
O
|
B:THR181
|
3.6
|
17.4
|
1.0
|
|
CG
|
B:ASP351
|
3.6
|
16.6
|
1.0
|
|
CE
|
B:LYS684
|
3.7
|
21.4
|
1.0
|
|
CA
|
B:THR625
|
3.7
|
22.3
|
1.0
|
|
O
|
B:HOH3105
|
3.9
|
20.1
|
1.0
|
|
C
|
B:THR625
|
3.9
|
20.5
|
1.0
|
|
OG1
|
B:THR625
|
4.0
|
21.4
|
1.0
|
|
CG
|
B:ASN706
|
4.0
|
23.1
|
1.0
|
|
CA
|
B:GLY626
|
4.1
|
17.3
|
1.0
|
|
O
|
B:ILE624
|
4.1
|
24.1
|
1.0
|
|
OD1
|
B:ASN706
|
4.2
|
25.9
|
1.0
|
|
C
|
B:THR181
|
4.4
|
18.9
|
1.0
|
|
OD1
|
B:ASP351
|
4.4
|
14.0
|
1.0
|
|
CB
|
B:THR625
|
4.4
|
22.1
|
1.0
|
|
CA
|
B:GLY182
|
4.4
|
21.5
|
1.0
|
|
OD1
|
B:ASP707
|
4.4
|
25.0
|
1.0
|
|
MG
|
B:MG997
|
4.5
|
22.6
|
1.0
|
|
CB
|
B:ASP351
|
4.6
|
18.8
|
1.0
|
|
N
|
B:GLY182
|
4.8
|
20.1
|
1.0
|
|
O
|
B:HOH3098
|
4.8
|
22.3
|
1.0
|
|
N
|
B:THR625
|
4.8
|
24.3
|
1.0
|
|
N
|
B:LYS352
|
4.8
|
17.6
|
1.0
|
|
C
|
B:ILE624
|
4.9
|
25.6
|
1.0
|
|
CA
|
B:ASP351
|
4.9
|
21.0
|
1.0
|
|
Fluorine binding site 7 out
of 16 in 1wpg
Go back to
Fluorine Binding Sites List in 1wpg
Fluorine binding site 7 out
of 16 in the Crystal Structure of the Sr CA2+-Atpase with MGF4
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Crystal Structure of the Sr CA2+-Atpase with MGF4 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F1098
b:25.7
occ:1.00
|
F3
|
B:MF41098
|
0.0
|
25.7
|
1.0
|
|
MG
|
B:MF41098
|
1.8
|
27.1
|
1.0
|
|
OE1
|
B:GLU183
|
2.6
|
23.7
|
1.0
|
|
O
|
B:THR181
|
2.6
|
17.4
|
1.0
|
|
F2
|
B:MF41098
|
2.9
|
23.8
|
1.0
|
|
F1
|
B:MF41098
|
2.9
|
20.7
|
1.0
|
|
F4
|
B:MF41098
|
2.9
|
22.4
|
1.0
|
|
OG1
|
B:THR625
|
3.4
|
21.4
|
1.0
|
|
CD
|
B:GLU183
|
3.4
|
27.7
|
1.0
|
|
N
|
B:GLY626
|
3.5
|
23.2
|
1.0
|
|
N
|
B:ASP627
|
3.6
|
20.5
|
1.0
|
|
OG1
|
B:THR353
|
3.7
|
22.4
|
1.0
|
|
CA
|
B:GLY182
|
3.7
|
21.5
|
1.0
|
|
CG
|
B:GLU183
|
3.7
|
22.3
|
1.0
|
|
C
|
B:THR181
|
3.7
|
18.9
|
1.0
|
|
C
|
B:GLY182
|
3.8
|
24.8
|
1.0
|
|
CA
|
B:GLY626
|
3.9
|
17.3
|
1.0
|
|
CB
|
B:THR353
|
3.9
|
20.1
|
1.0
|
|
N
|
B:GLU183
|
3.9
|
22.8
|
1.0
|
|
C
|
B:GLY626
|
4.0
|
17.5
|
1.0
|
|
N
|
B:GLY182
|
4.2
|
20.1
|
1.0
|
|
OD2
|
B:ASP351
|
4.2
|
16.8
|
1.0
|
|
O
|
B:GLY182
|
4.3
|
25.1
|
1.0
|
|
CB
|
B:ASP627
|
4.4
|
20.7
|
1.0
|
|
CA
|
B:ASP627
|
4.5
|
20.1
|
1.0
|
|
C
|
B:THR625
|
4.5
|
20.5
|
1.0
|
|
OE2
|
B:GLU183
|
4.5
|
28.6
|
1.0
|
|
CB
|
B:THR625
|
4.6
|
22.1
|
1.0
|
|
N
|
B:THR353
|
4.6
|
18.9
|
1.0
|
|
CA
|
B:GLU183
|
4.6
|
26.4
|
1.0
|
|
CA
|
B:THR625
|
4.7
|
22.3
|
1.0
|
|
ND2
|
B:ASN706
|
4.7
|
18.3
|
1.0
|
|
CB
|
B:GLU183
|
4.8
|
22.1
|
1.0
|
|
CA
|
B:THR353
|
4.9
|
20.9
|
1.0
|
|
CG2
|
B:THR353
|
4.9
|
16.4
|
1.0
|
|
MG
|
B:MG997
|
4.9
|
22.6
|
1.0
|
|
O
|
B:GLY626
|
4.9
|
19.9
|
1.0
|
|
Fluorine binding site 8 out
of 16 in 1wpg
Go back to
Fluorine Binding Sites List in 1wpg
Fluorine binding site 8 out
of 16 in the Crystal Structure of the Sr CA2+-Atpase with MGF4
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Crystal Structure of the Sr CA2+-Atpase with MGF4 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F1098
b:22.4
occ:1.00
|
F4
|
B:MF41098
|
0.0
|
22.4
|
1.0
|
|
MG
|
B:MF41098
|
1.8
|
27.1
|
1.0
|
|
MG
|
B:MG997
|
2.0
|
22.6
|
1.0
|
|
OD2
|
B:ASP351
|
2.5
|
16.8
|
1.0
|
|
O
|
B:HOH3105
|
2.7
|
20.1
|
1.0
|
|
O
|
B:HOH3100
|
2.9
|
22.0
|
1.0
|
|
OD1
|
B:ASP351
|
2.9
|
14.0
|
1.0
|
|
F2
|
B:MF41098
|
2.9
|
23.8
|
1.0
|
|
F1
|
B:MF41098
|
2.9
|
20.7
|
1.0
|
|
F3
|
B:MF41098
|
2.9
|
25.7
|
1.0
|
|
CG
|
B:ASP351
|
3.1
|
16.6
|
1.0
|
|
O
|
B:THR353
|
3.1
|
25.4
|
1.0
|
|
CB
|
B:THR353
|
3.4
|
20.1
|
1.0
|
|
CA
|
B:GLY182
|
3.6
|
21.5
|
1.0
|
|
N
|
B:THR353
|
3.7
|
18.9
|
1.0
|
|
CA
|
B:THR353
|
3.8
|
20.9
|
1.0
|
|
C
|
B:THR353
|
3.8
|
21.9
|
1.0
|
|
O
|
B:GLY182
|
3.8
|
25.1
|
1.0
|
|
C
|
B:GLY182
|
3.9
|
24.8
|
1.0
|
|
OD1
|
B:ASP703
|
4.1
|
29.1
|
1.0
|
|
OG1
|
B:THR353
|
4.2
|
22.4
|
1.0
|
|
O
|
B:THR181
|
4.4
|
17.4
|
1.0
|
|
CG2
|
B:THR353
|
4.4
|
16.4
|
1.0
|
|
OD1
|
B:ASN706
|
4.5
|
25.9
|
1.0
|
|
CB
|
B:ASP351
|
4.6
|
18.8
|
1.0
|
|
N
|
B:LYS352
|
4.6
|
17.6
|
1.0
|
|
C
|
B:LYS352
|
4.6
|
20.3
|
1.0
|
|
ND2
|
B:ASN706
|
4.7
|
18.3
|
1.0
|
|
OE1
|
B:GLU183
|
4.7
|
23.7
|
1.0
|
|
N
|
B:GLY182
|
4.7
|
20.1
|
1.0
|
|
N
|
B:GLU183
|
4.9
|
22.8
|
1.0
|
|
OD2
|
B:ASP707
|
4.9
|
22.8
|
1.0
|
|
C
|
B:THR181
|
5.0
|
18.9
|
1.0
|
|
Fluorine binding site 9 out
of 16 in 1wpg
Go back to
Fluorine Binding Sites List in 1wpg
Fluorine binding site 9 out
of 16 in the Crystal Structure of the Sr CA2+-Atpase with MGF4
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of Crystal Structure of the Sr CA2+-Atpase with MGF4 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F1198
b:20.6
occ:1.00
|
F1
|
C:MF41198
|
0.0
|
20.6
|
1.0
|
|
MG
|
C:MF41198
|
1.8
|
27.7
|
1.0
|
|
OD2
|
C:ASP351
|
2.5
|
15.5
|
1.0
|
|
OG1
|
C:THR625
|
2.6
|
22.3
|
1.0
|
|
N
|
C:THR353
|
2.7
|
20.4
|
1.0
|
|
N
|
C:LYS352
|
2.8
|
19.1
|
1.0
|
|
F2
|
C:MF41198
|
2.9
|
24.7
|
1.0
|
|
F4
|
C:MF41198
|
2.9
|
22.3
|
1.0
|
|
F3
|
C:MF41198
|
2.9
|
25.4
|
1.0
|
|
CB
|
C:THR625
|
3.2
|
23.7
|
1.0
|
|
CB
|
C:LYS352
|
3.3
|
17.6
|
1.0
|
|
CA
|
C:LYS352
|
3.3
|
19.1
|
1.0
|
|
CG
|
C:ASP351
|
3.4
|
17.9
|
1.0
|
|
C
|
C:LYS352
|
3.5
|
21.0
|
1.0
|
|
CA
|
C:THR625
|
3.6
|
23.1
|
1.0
|
|
OG1
|
C:THR353
|
3.7
|
22.5
|
1.0
|
|
CB
|
C:THR353
|
3.8
|
20.8
|
1.0
|
|
CA
|
C:THR353
|
3.8
|
21.6
|
1.0
|
|
C
|
C:ASP351
|
4.0
|
22.0
|
1.0
|
|
OD1
|
C:ASP351
|
4.0
|
16.3
|
1.0
|
|
N
|
C:GLY626
|
4.0
|
22.6
|
1.0
|
|
CG
|
C:LYS352
|
4.2
|
21.1
|
1.0
|
|
CA
|
C:ASP351
|
4.3
|
21.6
|
1.0
|
|
OE1
|
C:GLU183
|
4.3
|
23.2
|
1.0
|
|
C
|
C:THR625
|
4.4
|
21.7
|
1.0
|
|
O
|
C:ILE624
|
4.4
|
24.1
|
1.0
|
|
MG
|
C:MG997
|
4.5
|
21.1
|
1.0
|
|
CB
|
C:ASP351
|
4.5
|
19.9
|
1.0
|
|
NZ
|
C:LYS352
|
4.6
|
28.3
|
1.0
|
|
O
|
C:THR353
|
4.6
|
24.7
|
1.0
|
|
CG2
|
C:THR625
|
4.6
|
19.2
|
1.0
|
|
O
|
C:LYS352
|
4.6
|
18.3
|
1.0
|
|
CD
|
C:LYS352
|
4.7
|
28.1
|
1.0
|
|
C
|
C:THR353
|
4.7
|
22.6
|
1.0
|
|
N
|
C:THR625
|
4.7
|
24.0
|
1.0
|
|
NZ
|
C:LYS684
|
4.7
|
20.3
|
1.0
|
|
N
|
C:ASP627
|
4.9
|
21.3
|
1.0
|
|
C
|
C:ILE624
|
4.9
|
25.3
|
1.0
|
|
Fluorine binding site 10 out
of 16 in 1wpg
Go back to
Fluorine Binding Sites List in 1wpg
Fluorine binding site 10 out
of 16 in the Crystal Structure of the Sr CA2+-Atpase with MGF4
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 10 of Crystal Structure of the Sr CA2+-Atpase with MGF4 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F1198
b:24.7
occ:1.00
|
F2
|
C:MF41198
|
0.0
|
24.7
|
1.0
|
|
MG
|
C:MF41198
|
1.7
|
27.7
|
1.0
|
|
OD2
|
C:ASP351
|
2.4
|
15.5
|
1.0
|
|
NZ
|
C:LYS684
|
2.8
|
20.3
|
1.0
|
|
F3
|
C:MF41198
|
2.9
|
25.4
|
1.0
|
|
F4
|
C:MF41198
|
2.9
|
22.3
|
1.0
|
|
F1
|
C:MF41198
|
2.9
|
20.6
|
1.0
|
|
ND2
|
C:ASN706
|
3.0
|
18.5
|
1.0
|
|
N
|
C:GLY626
|
3.1
|
22.6
|
1.0
|
|
O
|
C:THR181
|
3.6
|
14.7
|
1.0
|
|
CG
|
C:ASP351
|
3.6
|
17.9
|
1.0
|
|
CE
|
C:LYS684
|
3.7
|
23.6
|
1.0
|
|
CA
|
C:THR625
|
3.8
|
23.1
|
1.0
|
|
O
|
C:HOH4105
|
3.9
|
18.7
|
1.0
|
|
C
|
C:THR625
|
3.9
|
21.7
|
1.0
|
|
CG
|
C:ASN706
|
4.0
|
23.2
|
1.0
|
|
OG1
|
C:THR625
|
4.0
|
22.3
|
1.0
|
|
CA
|
C:GLY626
|
4.1
|
18.8
|
1.0
|
|
O
|
C:ILE624
|
4.1
|
24.1
|
1.0
|
|
OD1
|
C:ASN706
|
4.2
|
24.2
|
1.0
|
|
OD1
|
C:ASP351
|
4.4
|
16.3
|
1.0
|
|
C
|
C:THR181
|
4.4
|
17.4
|
1.0
|
|
CA
|
C:GLY182
|
4.4
|
22.1
|
1.0
|
|
CB
|
C:THR625
|
4.4
|
23.7
|
1.0
|
|
OD1
|
C:ASP707
|
4.4
|
24.6
|
1.0
|
|
MG
|
C:MG997
|
4.6
|
21.1
|
1.0
|
|
CB
|
C:ASP351
|
4.6
|
19.9
|
1.0
|
|
N
|
C:GLY182
|
4.8
|
20.3
|
1.0
|
|
N
|
C:THR625
|
4.8
|
24.0
|
1.0
|
|
O
|
C:HOH4098
|
4.8
|
22.4
|
1.0
|
|
N
|
C:LYS352
|
4.8
|
19.1
|
1.0
|
|
C
|
C:ILE624
|
4.9
|
25.3
|
1.0
|
|
CA
|
C:ASP351
|
4.9
|
21.6
|
1.0
|
|
Reference:
C.Toyoshima,
H.Nomura,
T.Tsuda.
Lumenal Gating Mechanism Revealed in Calcium Pump Crystal Structures with Phosphate Analogues Nature V. 432 361 2004.
ISSN: ISSN 0028-0836
PubMed: 15448704
DOI: 10.1038/NATURE02981
Page generated: Wed Jul 31 13:14:34 2024
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