Manganese in PDB 6fs7: Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa)
Protein crystallography data
The structure of Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa), PDB code: 6fs7
was solved by
S.Cusack,
V.Speranzini,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
90.64 /
1.96
|
Space group
|
P 21 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
135.680,
75.560,
121.800,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
18.8 /
21.1
|
Other elements in 6fs7:
The structure of Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa) also contains other interesting chemical elements:
Manganese Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Manganese atom in the Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa)
(pdb code 6fs7). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 12 binding sites of Manganese where determined in the
Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa), PDB code: 6fs7:
Jump to Manganese binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Manganese binding site 1 out
of 12 in 6fs7
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Manganese Binding Sites List in 6fs7
Manganese binding site 1 out
of 12 in the Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn901
b:28.4
occ:1.00
|
O
|
A:ILE120
|
2.1
|
30.7
|
1.0
|
OD2
|
A:ASP108
|
2.2
|
27.4
|
1.0
|
OE2
|
A:GLU119
|
2.2
|
28.5
|
1.0
|
O1
|
A:E4Z903
|
2.2
|
25.9
|
1.0
|
O2
|
A:E4Z903
|
2.3
|
28.9
|
1.0
|
NE2
|
A:HIS41
|
2.4
|
29.7
|
1.0
|
C1
|
A:E4Z903
|
2.9
|
29.5
|
1.0
|
C5
|
A:E4Z903
|
3.0
|
29.0
|
1.0
|
CG
|
A:ASP108
|
3.0
|
28.6
|
1.0
|
OD1
|
A:ASP108
|
3.2
|
29.9
|
1.0
|
CD
|
A:GLU119
|
3.2
|
31.0
|
1.0
|
CE1
|
A:HIS41
|
3.2
|
28.1
|
1.0
|
C
|
A:ILE120
|
3.3
|
27.4
|
1.0
|
CD2
|
A:HIS41
|
3.3
|
28.9
|
1.0
|
N
|
A:ILE120
|
3.7
|
27.8
|
1.0
|
MN
|
A:MN902
|
3.7
|
39.0
|
1.0
|
OE1
|
A:GLU119
|
3.7
|
29.6
|
1.0
|
O
|
A:HOH1011
|
3.8
|
33.4
|
1.0
|
CA
|
A:ILE120
|
3.9
|
27.6
|
1.0
|
NZ
|
A:LYS134
|
4.1
|
49.9
|
1.0
|
CB
|
A:ILE120
|
4.3
|
31.0
|
1.0
|
C2
|
A:E4Z903
|
4.3
|
27.1
|
1.0
|
CG
|
A:GLU119
|
4.3
|
32.7
|
1.0
|
ND1
|
A:HIS41
|
4.3
|
28.3
|
1.0
|
C4
|
A:E4Z903
|
4.4
|
25.8
|
1.0
|
O
|
A:HOH1044
|
4.4
|
32.1
|
1.0
|
CG
|
A:HIS41
|
4.4
|
25.9
|
1.0
|
N
|
A:GLY121
|
4.4
|
29.8
|
1.0
|
CB
|
A:ASP108
|
4.4
|
30.7
|
1.0
|
CE
|
A:LYS134
|
4.6
|
46.4
|
1.0
|
C
|
A:GLU119
|
4.6
|
29.5
|
1.0
|
CA
|
A:GLY121
|
4.7
|
33.0
|
1.0
|
OE1
|
A:GLU80
|
4.9
|
30.4
|
1.0
|
O3
|
A:E4Z903
|
4.9
|
37.5
|
1.0
|
O
|
A:HOH1087
|
5.0
|
50.2
|
1.0
|
CA
|
A:GLU119
|
5.0
|
33.8
|
1.0
|
|
Manganese binding site 2 out
of 12 in 6fs7
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Manganese Binding Sites List in 6fs7
Manganese binding site 2 out
of 12 in the Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn902
b:39.0
occ:1.00
|
O
|
A:HOH1051
|
2.0
|
29.7
|
1.0
|
OD1
|
A:ASP108
|
2.1
|
29.9
|
1.0
|
O3
|
A:E4Z903
|
2.1
|
37.5
|
1.0
|
O
|
A:HOH1011
|
2.1
|
33.4
|
1.0
|
O2
|
A:E4Z903
|
2.2
|
28.9
|
1.0
|
OE1
|
A:GLU80
|
2.3
|
30.4
|
1.0
|
C6
|
A:E4Z903
|
3.1
|
33.3
|
1.0
|
CG
|
A:ASP108
|
3.2
|
28.6
|
1.0
|
C5
|
A:E4Z903
|
3.2
|
29.0
|
1.0
|
CD
|
A:GLU80
|
3.4
|
35.7
|
1.0
|
C4
|
A:E4Z903
|
3.6
|
25.8
|
1.0
|
MN
|
A:MN901
|
3.7
|
28.4
|
1.0
|
OD2
|
A:ASP108
|
3.7
|
27.4
|
1.0
|
CE1
|
A:HIS41
|
4.0
|
28.1
|
1.0
|
O
|
A:PRO107
|
4.1
|
29.6
|
1.0
|
OE2
|
A:GLU80
|
4.1
|
43.0
|
1.0
|
O
|
A:HOH1030
|
4.2
|
44.7
|
1.0
|
N3
|
A:E4Z903
|
4.2
|
34.4
|
1.0
|
CG
|
A:GLU80
|
4.3
|
44.9
|
1.0
|
O
|
A:HOH1033
|
4.3
|
40.5
|
1.0
|
OE1
|
A:GLU119
|
4.3
|
29.6
|
1.0
|
CB
|
A:ASP108
|
4.3
|
30.7
|
1.0
|
C
|
A:PRO107
|
4.4
|
22.7
|
1.0
|
CA
|
A:ASP108
|
4.4
|
27.6
|
1.0
|
NE2
|
A:HIS41
|
4.4
|
29.7
|
1.0
|
O
|
A:LEU106
|
4.5
|
30.8
|
1.0
|
OE2
|
A:GLU119
|
4.5
|
28.5
|
1.0
|
C1
|
A:E4Z903
|
4.5
|
29.5
|
1.0
|
CB
|
A:GLU80
|
4.5
|
35.1
|
1.0
|
N
|
A:ASP108
|
4.6
|
27.5
|
1.0
|
C10
|
A:E4Z903
|
4.7
|
40.3
|
1.0
|
CD
|
A:GLU119
|
4.8
|
31.0
|
1.0
|
O1
|
A:E4Z903
|
4.9
|
25.9
|
1.0
|
N1
|
A:E4Z903
|
5.0
|
31.9
|
1.0
|
|
Manganese binding site 3 out
of 12 in 6fs7
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Manganese Binding Sites List in 6fs7
Manganese binding site 3 out
of 12 in the Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn901
b:26.4
occ:1.00
|
O1
|
B:E4Z903
|
2.1
|
23.8
|
1.0
|
OD2
|
B:ASP108
|
2.1
|
23.3
|
1.0
|
O
|
B:ILE120
|
2.2
|
28.3
|
1.0
|
OE2
|
B:GLU119
|
2.3
|
28.9
|
1.0
|
NE2
|
B:HIS41
|
2.3
|
24.6
|
1.0
|
O2
|
B:E4Z903
|
2.3
|
33.7
|
1.0
|
C1
|
B:E4Z903
|
2.9
|
20.9
|
1.0
|
C5
|
B:E4Z903
|
3.0
|
24.6
|
1.0
|
CG
|
B:ASP108
|
3.0
|
27.7
|
1.0
|
CE1
|
B:HIS41
|
3.2
|
26.9
|
1.0
|
CD
|
B:GLU119
|
3.2
|
32.6
|
1.0
|
OD1
|
B:ASP108
|
3.3
|
25.2
|
1.0
|
CD2
|
B:HIS41
|
3.3
|
28.0
|
1.0
|
C
|
B:ILE120
|
3.3
|
22.6
|
1.0
|
N
|
B:ILE120
|
3.7
|
23.6
|
1.0
|
MN
|
B:MN902
|
3.7
|
38.3
|
1.0
|
OE1
|
B:GLU119
|
3.8
|
30.2
|
1.0
|
O
|
B:HOH1024
|
3.8
|
27.4
|
1.0
|
CA
|
B:ILE120
|
3.9
|
23.9
|
1.0
|
NZ
|
B:LYS134
|
4.1
|
45.6
|
1.0
|
O
|
B:HOH1031
|
4.2
|
28.9
|
1.0
|
C2
|
B:E4Z903
|
4.2
|
30.7
|
1.0
|
CB
|
B:ILE120
|
4.2
|
29.0
|
1.0
|
ND1
|
B:HIS41
|
4.3
|
24.7
|
1.0
|
CG
|
B:HIS41
|
4.3
|
26.2
|
1.0
|
C4
|
B:E4Z903
|
4.4
|
27.1
|
1.0
|
CG
|
B:GLU119
|
4.4
|
28.5
|
1.0
|
CB
|
B:ASP108
|
4.4
|
25.1
|
1.0
|
N
|
B:GLY121
|
4.4
|
23.1
|
1.0
|
CE
|
B:LYS134
|
4.7
|
40.2
|
1.0
|
C
|
B:GLU119
|
4.7
|
26.0
|
1.0
|
CA
|
B:GLY121
|
4.8
|
26.5
|
1.0
|
OE1
|
B:GLU80
|
4.9
|
28.7
|
1.0
|
O3
|
B:E4Z903
|
5.0
|
30.1
|
1.0
|
|
Manganese binding site 4 out
of 12 in 6fs7
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Manganese Binding Sites List in 6fs7
Manganese binding site 4 out
of 12 in the Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn902
b:38.3
occ:1.00
|
O
|
B:HOH1024
|
2.0
|
27.4
|
1.0
|
OD1
|
B:ASP108
|
2.1
|
25.2
|
1.0
|
O2
|
B:E4Z903
|
2.1
|
33.7
|
1.0
|
O3
|
B:E4Z903
|
2.1
|
30.1
|
1.0
|
O
|
B:HOH1033
|
2.1
|
25.8
|
1.0
|
OE1
|
B:GLU80
|
2.3
|
28.7
|
1.0
|
C6
|
B:E4Z903
|
3.1
|
33.5
|
1.0
|
C5
|
B:E4Z903
|
3.1
|
24.6
|
1.0
|
CG
|
B:ASP108
|
3.1
|
27.7
|
1.0
|
CD
|
B:GLU80
|
3.4
|
25.3
|
1.0
|
C4
|
B:E4Z903
|
3.5
|
27.1
|
1.0
|
OD2
|
B:ASP108
|
3.6
|
23.3
|
1.0
|
MN
|
B:MN901
|
3.7
|
26.4
|
1.0
|
CE1
|
B:HIS41
|
3.9
|
26.9
|
1.0
|
O
|
B:HOH1030
|
4.1
|
36.9
|
1.0
|
O
|
B:PRO107
|
4.1
|
23.3
|
1.0
|
OE2
|
B:GLU80
|
4.2
|
45.2
|
1.0
|
O
|
B:HOH1039
|
4.2
|
40.2
|
1.0
|
CG
|
B:GLU80
|
4.3
|
41.1
|
1.0
|
N3
|
B:E4Z903
|
4.3
|
29.6
|
1.0
|
CB
|
B:ASP108
|
4.3
|
25.1
|
1.0
|
NE2
|
B:HIS41
|
4.4
|
24.6
|
1.0
|
OE1
|
B:GLU119
|
4.4
|
30.2
|
1.0
|
C
|
B:PRO107
|
4.4
|
21.9
|
1.0
|
CA
|
B:ASP108
|
4.4
|
25.3
|
1.0
|
C1
|
B:E4Z903
|
4.4
|
20.9
|
1.0
|
O
|
B:LEU106
|
4.4
|
30.6
|
1.0
|
OE2
|
B:GLU119
|
4.5
|
28.9
|
1.0
|
CB
|
B:GLU80
|
4.5
|
33.2
|
1.0
|
N
|
B:ASP108
|
4.6
|
23.6
|
1.0
|
O1
|
B:E4Z903
|
4.8
|
23.8
|
1.0
|
C10
|
B:E4Z903
|
4.8
|
33.6
|
1.0
|
CD
|
B:GLU119
|
4.9
|
32.6
|
1.0
|
ND1
|
B:HIS41
|
4.9
|
24.7
|
1.0
|
N1
|
B:E4Z903
|
4.9
|
26.0
|
1.0
|
|
Manganese binding site 5 out
of 12 in 6fs7
Go back to
Manganese Binding Sites List in 6fs7
Manganese binding site 5 out
of 12 in the Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 5 of Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn901
b:30.9
occ:1.00
|
OD2
|
C:ASP108
|
2.2
|
30.7
|
1.0
|
O
|
C:ILE120
|
2.2
|
31.1
|
1.0
|
O1
|
C:E4Z903
|
2.2
|
28.7
|
1.0
|
OE2
|
C:GLU119
|
2.3
|
36.6
|
1.0
|
O2
|
C:E4Z903
|
2.3
|
31.7
|
1.0
|
NE2
|
C:HIS41
|
2.3
|
27.6
|
1.0
|
C1
|
C:E4Z903
|
2.9
|
30.9
|
1.0
|
C5
|
C:E4Z903
|
3.0
|
30.0
|
1.0
|
CG
|
C:ASP108
|
3.0
|
29.2
|
1.0
|
CE1
|
C:HIS41
|
3.2
|
28.0
|
1.0
|
OD1
|
C:ASP108
|
3.2
|
29.1
|
1.0
|
CD
|
C:GLU119
|
3.2
|
34.4
|
1.0
|
CD2
|
C:HIS41
|
3.3
|
28.1
|
1.0
|
C
|
C:ILE120
|
3.3
|
30.1
|
1.0
|
MN
|
C:MN902
|
3.7
|
44.3
|
1.0
|
N
|
C:ILE120
|
3.7
|
29.9
|
1.0
|
OE1
|
C:GLU119
|
3.7
|
31.7
|
1.0
|
O
|
C:HOH1006
|
3.9
|
35.6
|
1.0
|
CA
|
C:ILE120
|
3.9
|
30.7
|
1.0
|
NZ
|
C:LYS134
|
4.1
|
47.9
|
1.0
|
C2
|
C:E4Z903
|
4.2
|
33.8
|
1.0
|
CB
|
C:ILE120
|
4.3
|
31.3
|
1.0
|
ND1
|
C:HIS41
|
4.3
|
33.2
|
1.0
|
CG
|
C:GLU119
|
4.3
|
36.5
|
1.0
|
C4
|
C:E4Z903
|
4.3
|
26.5
|
1.0
|
CG
|
C:HIS41
|
4.4
|
26.0
|
1.0
|
O
|
C:HOH1044
|
4.4
|
33.4
|
1.0
|
CB
|
C:ASP108
|
4.4
|
33.0
|
1.0
|
N
|
C:GLY121
|
4.4
|
28.8
|
1.0
|
CE
|
C:LYS134
|
4.6
|
48.6
|
1.0
|
C
|
C:GLU119
|
4.6
|
30.6
|
1.0
|
CA
|
C:GLY121
|
4.8
|
33.3
|
1.0
|
OE1
|
C:GLU80
|
4.9
|
31.9
|
1.0
|
O
|
C:HOH1069
|
4.9
|
52.1
|
1.0
|
O3
|
C:E4Z903
|
4.9
|
38.3
|
1.0
|
|
Manganese binding site 6 out
of 12 in 6fs7
Go back to
Manganese Binding Sites List in 6fs7
Manganese binding site 6 out
of 12 in the Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 6 of Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn902
b:44.3
occ:1.00
|
O3
|
C:E4Z903
|
2.0
|
38.3
|
1.0
|
O2
|
C:E4Z903
|
2.1
|
31.7
|
1.0
|
OD1
|
C:ASP108
|
2.1
|
29.1
|
1.0
|
O
|
C:HOH1006
|
2.2
|
35.6
|
1.0
|
O
|
C:HOH1018
|
2.3
|
34.0
|
1.0
|
OE1
|
C:GLU80
|
2.3
|
31.9
|
1.0
|
C6
|
C:E4Z903
|
3.0
|
33.7
|
1.0
|
C5
|
C:E4Z903
|
3.1
|
30.0
|
1.0
|
CG
|
C:ASP108
|
3.2
|
29.2
|
1.0
|
CD
|
C:GLU80
|
3.4
|
38.4
|
1.0
|
C4
|
C:E4Z903
|
3.5
|
26.5
|
1.0
|
MN
|
C:MN901
|
3.7
|
30.9
|
1.0
|
OD2
|
C:ASP108
|
3.7
|
30.7
|
1.0
|
CE1
|
C:HIS41
|
3.9
|
28.0
|
1.0
|
O
|
C:HOH1043
|
4.1
|
44.1
|
1.0
|
OE2
|
C:GLU80
|
4.1
|
42.5
|
1.0
|
N3
|
C:E4Z903
|
4.2
|
37.7
|
1.0
|
O
|
C:PRO107
|
4.2
|
33.3
|
1.0
|
CG
|
C:GLU80
|
4.3
|
45.0
|
1.0
|
OE1
|
C:GLU119
|
4.3
|
31.7
|
1.0
|
NE2
|
C:HIS41
|
4.4
|
27.6
|
1.0
|
CB
|
C:ASP108
|
4.4
|
33.0
|
1.0
|
O
|
C:HOH1069
|
4.4
|
52.1
|
1.0
|
O
|
C:LEU106
|
4.4
|
32.5
|
1.0
|
C1
|
C:E4Z903
|
4.4
|
30.9
|
1.0
|
OE2
|
C:GLU119
|
4.4
|
36.6
|
1.0
|
C
|
C:PRO107
|
4.5
|
25.6
|
1.0
|
CA
|
C:ASP108
|
4.5
|
31.1
|
1.0
|
CB
|
C:GLU80
|
4.6
|
39.0
|
1.0
|
N
|
C:ASP108
|
4.6
|
28.8
|
1.0
|
C10
|
C:E4Z903
|
4.8
|
37.8
|
1.0
|
CD
|
C:GLU119
|
4.8
|
34.4
|
1.0
|
O1
|
C:E4Z903
|
4.8
|
28.7
|
1.0
|
N1
|
C:E4Z903
|
4.9
|
30.1
|
1.0
|
|
Manganese binding site 7 out
of 12 in 6fs7
Go back to
Manganese Binding Sites List in 6fs7
Manganese binding site 7 out
of 12 in the Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 7 of Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mn901
b:26.8
occ:1.00
|
OD2
|
D:ASP108
|
2.1
|
24.4
|
1.0
|
O
|
D:ILE120
|
2.2
|
26.5
|
1.0
|
O1
|
D:E4Z903
|
2.2
|
26.3
|
1.0
|
OE2
|
D:GLU119
|
2.2
|
30.5
|
1.0
|
NE2
|
D:HIS41
|
2.3
|
28.6
|
1.0
|
O2
|
D:E4Z903
|
2.4
|
37.0
|
1.0
|
C1
|
D:E4Z903
|
2.9
|
24.3
|
1.0
|
CG
|
D:ASP108
|
3.0
|
28.2
|
1.0
|
C5
|
D:E4Z903
|
3.0
|
30.8
|
1.0
|
CD
|
D:GLU119
|
3.2
|
33.0
|
1.0
|
OD1
|
D:ASP108
|
3.2
|
27.2
|
1.0
|
CE1
|
D:HIS41
|
3.2
|
30.7
|
1.0
|
CD2
|
D:HIS41
|
3.3
|
26.9
|
1.0
|
C
|
D:ILE120
|
3.3
|
25.0
|
1.0
|
MN
|
D:MN902
|
3.7
|
38.5
|
1.0
|
N
|
D:ILE120
|
3.7
|
26.6
|
1.0
|
OE1
|
D:GLU119
|
3.7
|
31.1
|
1.0
|
O
|
D:HOH1008
|
3.8
|
31.1
|
1.0
|
CA
|
D:ILE120
|
3.9
|
26.4
|
1.0
|
NZ
|
D:LYS134
|
4.1
|
49.5
|
1.0
|
C2
|
D:E4Z903
|
4.3
|
29.4
|
1.0
|
CB
|
D:ILE120
|
4.3
|
26.4
|
1.0
|
CG
|
D:GLU119
|
4.3
|
30.5
|
1.0
|
ND1
|
D:HIS41
|
4.3
|
29.2
|
1.0
|
O
|
D:HOH1040
|
4.4
|
26.7
|
1.0
|
CG
|
D:HIS41
|
4.4
|
27.1
|
1.0
|
C4
|
D:E4Z903
|
4.4
|
23.8
|
1.0
|
CB
|
D:ASP108
|
4.4
|
28.9
|
1.0
|
N
|
D:GLY121
|
4.4
|
28.4
|
1.0
|
C
|
D:GLU119
|
4.6
|
30.7
|
1.0
|
CE
|
D:LYS134
|
4.7
|
37.4
|
1.0
|
O
|
D:HOH1085
|
4.7
|
47.7
|
1.0
|
CA
|
D:GLY121
|
4.8
|
31.3
|
1.0
|
OE1
|
D:GLU80
|
4.9
|
30.2
|
1.0
|
O3
|
D:E4Z903
|
5.0
|
38.5
|
1.0
|
CA
|
D:GLU119
|
5.0
|
27.1
|
1.0
|
|
Manganese binding site 8 out
of 12 in 6fs7
Go back to
Manganese Binding Sites List in 6fs7
Manganese binding site 8 out
of 12 in the Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 8 of Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mn902
b:38.5
occ:1.00
|
OD1
|
D:ASP108
|
2.1
|
27.2
|
1.0
|
O2
|
D:E4Z903
|
2.1
|
37.0
|
1.0
|
O
|
D:HOH1033
|
2.1
|
29.4
|
1.0
|
O3
|
D:E4Z903
|
2.1
|
38.5
|
1.0
|
OE1
|
D:GLU80
|
2.2
|
30.2
|
1.0
|
O
|
D:HOH1008
|
2.2
|
31.1
|
1.0
|
C6
|
D:E4Z903
|
3.1
|
31.4
|
1.0
|
C5
|
D:E4Z903
|
3.1
|
30.8
|
1.0
|
CG
|
D:ASP108
|
3.2
|
28.2
|
1.0
|
CD
|
D:GLU80
|
3.3
|
39.0
|
1.0
|
C4
|
D:E4Z903
|
3.5
|
23.8
|
1.0
|
MN
|
D:MN901
|
3.7
|
26.8
|
1.0
|
OD2
|
D:ASP108
|
3.7
|
24.4
|
1.0
|
CE1
|
D:HIS41
|
3.8
|
30.7
|
1.0
|
O
|
D:HOH1054
|
4.1
|
44.0
|
1.0
|
OE2
|
D:GLU80
|
4.1
|
52.0
|
1.0
|
O
|
D:HOH1037
|
4.2
|
39.4
|
1.0
|
O
|
D:PRO107
|
4.2
|
28.6
|
1.0
|
CG
|
D:GLU80
|
4.2
|
39.2
|
1.0
|
N3
|
D:E4Z903
|
4.3
|
29.9
|
1.0
|
NE2
|
D:HIS41
|
4.3
|
28.6
|
1.0
|
CB
|
D:ASP108
|
4.3
|
28.9
|
1.0
|
OE1
|
D:GLU119
|
4.4
|
31.1
|
1.0
|
CA
|
D:ASP108
|
4.4
|
22.0
|
1.0
|
C1
|
D:E4Z903
|
4.4
|
24.3
|
1.0
|
C
|
D:PRO107
|
4.4
|
26.1
|
1.0
|
O
|
D:LEU106
|
4.4
|
28.6
|
1.0
|
CB
|
D:GLU80
|
4.5
|
31.7
|
1.0
|
OE2
|
D:GLU119
|
4.5
|
30.5
|
1.0
|
N
|
D:ASP108
|
4.6
|
26.3
|
1.0
|
O
|
D:HOH1085
|
4.6
|
47.7
|
1.0
|
C10
|
D:E4Z903
|
4.8
|
32.9
|
1.0
|
O1
|
D:E4Z903
|
4.8
|
26.3
|
1.0
|
ND1
|
D:HIS41
|
4.9
|
29.2
|
1.0
|
CD
|
D:GLU119
|
4.9
|
33.0
|
1.0
|
N1
|
D:E4Z903
|
4.9
|
28.1
|
1.0
|
|
Manganese binding site 9 out
of 12 in 6fs7
Go back to
Manganese Binding Sites List in 6fs7
Manganese binding site 9 out
of 12 in the Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 9 of Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mn901
b:31.5
occ:1.00
|
O1
|
E:E4Z903
|
2.1
|
33.6
|
1.0
|
OD2
|
E:ASP108
|
2.1
|
32.0
|
1.0
|
O
|
E:ILE120
|
2.2
|
27.1
|
1.0
|
OE2
|
E:GLU119
|
2.3
|
31.5
|
1.0
|
NE2
|
E:HIS41
|
2.3
|
24.9
|
1.0
|
O2
|
E:E4Z903
|
2.3
|
30.9
|
1.0
|
C1
|
E:E4Z903
|
2.8
|
29.5
|
1.0
|
C5
|
E:E4Z903
|
2.9
|
29.7
|
1.0
|
CG
|
E:ASP108
|
3.0
|
26.6
|
1.0
|
CE1
|
E:HIS41
|
3.2
|
32.3
|
1.0
|
OD1
|
E:ASP108
|
3.2
|
29.9
|
1.0
|
CD
|
E:GLU119
|
3.3
|
33.5
|
1.0
|
CD2
|
E:HIS41
|
3.3
|
30.4
|
1.0
|
C
|
E:ILE120
|
3.3
|
27.1
|
1.0
|
MN
|
E:MN902
|
3.7
|
41.2
|
1.0
|
N
|
E:ILE120
|
3.7
|
30.2
|
1.0
|
OE1
|
E:GLU119
|
3.8
|
36.7
|
1.0
|
CA
|
E:ILE120
|
3.9
|
27.1
|
1.0
|
O
|
E:HOH1014
|
4.0
|
33.6
|
1.0
|
NZ
|
E:LYS134
|
4.1
|
50.0
|
1.0
|
C2
|
E:E4Z903
|
4.2
|
37.1
|
1.0
|
O
|
E:HOH1020
|
4.2
|
31.1
|
1.0
|
CB
|
E:ILE120
|
4.2
|
30.9
|
1.0
|
ND1
|
E:HIS41
|
4.3
|
31.4
|
1.0
|
C4
|
E:E4Z903
|
4.3
|
29.0
|
1.0
|
CG
|
E:HIS41
|
4.4
|
28.2
|
1.0
|
CG
|
E:GLU119
|
4.4
|
35.7
|
1.0
|
CB
|
E:ASP108
|
4.4
|
32.8
|
1.0
|
N
|
E:GLY121
|
4.4
|
31.6
|
1.0
|
CE
|
E:LYS134
|
4.6
|
44.4
|
1.0
|
C
|
E:GLU119
|
4.6
|
32.6
|
1.0
|
CA
|
E:GLY121
|
4.8
|
30.3
|
1.0
|
OE1
|
E:GLU80
|
4.8
|
33.7
|
1.0
|
|
Manganese binding site 10 out
of 12 in 6fs7
Go back to
Manganese Binding Sites List in 6fs7
Manganese binding site 10 out
of 12 in the Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 10 of Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mn902
b:41.2
occ:1.00
|
O2
|
E:E4Z903
|
2.0
|
30.9
|
1.0
|
OD1
|
E:ASP108
|
2.1
|
29.9
|
1.0
|
O
|
E:HOH1029
|
2.1
|
29.8
|
1.0
|
O3
|
E:E4Z903
|
2.1
|
40.6
|
1.0
|
O
|
E:HOH1014
|
2.1
|
33.6
|
1.0
|
OE1
|
E:GLU80
|
2.2
|
33.7
|
1.0
|
C5
|
E:E4Z903
|
3.0
|
29.7
|
1.0
|
C6
|
E:E4Z903
|
3.1
|
35.5
|
1.0
|
CG
|
E:ASP108
|
3.2
|
26.6
|
1.0
|
CD
|
E:GLU80
|
3.3
|
42.9
|
1.0
|
C4
|
E:E4Z903
|
3.5
|
29.0
|
1.0
|
MN
|
E:MN901
|
3.7
|
31.5
|
1.0
|
OD2
|
E:ASP108
|
3.7
|
32.0
|
1.0
|
O
|
E:HOH1024
|
3.7
|
47.1
|
1.0
|
CE1
|
E:HIS41
|
3.9
|
32.3
|
1.0
|
OE2
|
E:GLU80
|
4.1
|
47.1
|
1.0
|
O
|
E:PRO107
|
4.2
|
31.4
|
1.0
|
N3
|
E:E4Z903
|
4.2
|
41.4
|
1.0
|
CG
|
E:GLU80
|
4.3
|
44.8
|
1.0
|
OE1
|
E:GLU119
|
4.3
|
36.7
|
1.0
|
NE2
|
E:HIS41
|
4.4
|
24.9
|
1.0
|
C1
|
E:E4Z903
|
4.4
|
29.5
|
1.0
|
CB
|
E:ASP108
|
4.4
|
32.8
|
1.0
|
O
|
E:HOH1021
|
4.4
|
44.3
|
1.0
|
C
|
E:PRO107
|
4.5
|
30.1
|
1.0
|
CA
|
E:ASP108
|
4.5
|
32.2
|
1.0
|
O
|
E:LEU106
|
4.5
|
39.0
|
1.0
|
OE2
|
E:GLU119
|
4.5
|
31.5
|
1.0
|
CB
|
E:GLU80
|
4.6
|
40.6
|
1.0
|
N
|
E:ASP108
|
4.6
|
28.7
|
1.0
|
O1
|
E:E4Z903
|
4.7
|
33.6
|
1.0
|
C10
|
E:E4Z903
|
4.8
|
35.8
|
1.0
|
CD
|
E:GLU119
|
4.9
|
33.5
|
1.0
|
N1
|
E:E4Z903
|
4.9
|
31.6
|
1.0
|
ND1
|
E:HIS41
|
5.0
|
31.4
|
1.0
|
|
Reference:
S.Omoto,
V.Speranzini,
T.Hashimoto,
T.Noshi,
H.Yamaguchi,
M.Kawai,
K.Kawaguchi,
T.Uehara,
T.Shishido,
A.Naito,
S.Cusack.
Characterization of Influenza Virus Variants Induced By Treatment with the Endonuclease Inhibitor Baloxavir Marboxil. Sci Rep V. 8 9633 2018.
ISSN: ESSN 2045-2322
PubMed: 29941893
DOI: 10.1038/S41598-018-27890-4
Page generated: Sun Oct 6 04:38:13 2024
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