Iridium in PDB 7kga: Crystal Structure of A Mosquito-Borne Flavivirus Dumbbell Rna
Protein crystallography data
The structure of Crystal Structure of A Mosquito-Borne Flavivirus Dumbbell Rna, PDB code: 7kga
was solved by
B.M.Akiyama,
M.E.Graham,
Z.O'donoghue,
J.D.Beckham,
J.S.Kieft,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
44.74 /
2.10
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
65.93,
49.67,
73.46,
90,
99.74,
90
|
R / Rfree (%)
|
22.8 /
25.9
|
Iridium Binding Sites:
Iridium binding site 1 out
of 51 in 7kga
Go back to
Iridium Binding Sites List in 7kga
Iridium binding site 1 out
of 51 in the Crystal Structure of A Mosquito-Borne Flavivirus Dumbbell Rna
Mono view
Stereo pair view
|
A full contact list of Iridium with other atoms in the Ir binding
site number 1 of Crystal Structure of A Mosquito-Borne Flavivirus Dumbbell Rna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ir101
b:61.1
occ:1.00
|
IR
|
A:IRI101
|
0.0
|
61.1
|
1.0
|
N2
|
A:IRI101
|
2.1
|
40.8
|
1.0
|
N3
|
A:IRI101
|
2.1
|
41.5
|
1.0
|
N1
|
A:IRI101
|
2.1
|
47.8
|
1.0
|
N4
|
A:IRI101
|
2.1
|
38.1
|
1.0
|
N5
|
A:IRI101
|
2.1
|
39.7
|
1.0
|
N6
|
A:IRI101
|
2.1
|
42.6
|
1.0
|
O2'
|
A:G62
|
3.9
|
36.5
|
1.0
|
N7
|
A:G64
|
3.9
|
31.8
|
1.0
|
OP2
|
A:A63
|
4.4
|
37.4
|
1.0
|
O6
|
A:G65
|
4.5
|
35.3
|
1.0
|
O6
|
A:G64
|
4.7
|
30.1
|
1.0
|
OP2
|
A:G64
|
4.7
|
47.1
|
1.0
|
C8
|
A:G64
|
4.7
|
32.4
|
1.0
|
C5
|
A:G64
|
4.9
|
29.6
|
1.0
|
|
Iridium binding site 2 out
of 51 in 7kga
Go back to
Iridium Binding Sites List in 7kga
Iridium binding site 2 out
of 51 in the Crystal Structure of A Mosquito-Borne Flavivirus Dumbbell Rna
Mono view
Stereo pair view
|
A full contact list of Iridium with other atoms in the Ir binding
site number 2 of Crystal Structure of A Mosquito-Borne Flavivirus Dumbbell Rna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ir102
b:40.4
occ:0.66
|
IR
|
A:IRI102
|
0.0
|
40.4
|
0.7
|
N4
|
A:IRI102
|
2.1
|
26.5
|
0.7
|
N2
|
A:IRI102
|
2.1
|
27.2
|
0.7
|
N3
|
A:IRI102
|
2.1
|
30.0
|
0.7
|
N6
|
A:IRI102
|
2.1
|
29.0
|
0.7
|
N5
|
A:IRI102
|
2.1
|
29.1
|
0.7
|
N1
|
A:IRI102
|
2.1
|
33.9
|
0.7
|
O
|
A:HOH206
|
3.6
|
31.1
|
1.0
|
O6
|
A:G32
|
4.0
|
29.5
|
1.0
|
OP2
|
A:A30
|
4.1
|
38.3
|
1.0
|
OP2
|
A:G31
|
4.1
|
37.6
|
1.0
|
N7
|
A:G31
|
4.2
|
36.5
|
1.0
|
N7
|
A:G32
|
4.5
|
38.5
|
1.0
|
O
|
A:HOH235
|
4.6
|
33.3
|
1.0
|
O6
|
A:G31
|
4.9
|
34.0
|
1.0
|
C8
|
A:G31
|
4.9
|
32.9
|
1.0
|
C6
|
A:G32
|
4.9
|
32.6
|
1.0
|
C5
|
A:G31
|
5.0
|
36.8
|
1.0
|
|
Iridium binding site 3 out
of 51 in 7kga
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Iridium Binding Sites List in 7kga
Iridium binding site 3 out
of 51 in the Crystal Structure of A Mosquito-Borne Flavivirus Dumbbell Rna
Mono view
Stereo pair view
|
A full contact list of Iridium with other atoms in the Ir binding
site number 3 of Crystal Structure of A Mosquito-Borne Flavivirus Dumbbell Rna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ir103
b:50.5
occ:0.62
|
IR
|
A:IRI103
|
0.0
|
50.5
|
0.6
|
N4
|
A:IRI103
|
2.1
|
35.9
|
0.6
|
N5
|
A:IRI103
|
2.1
|
42.8
|
0.6
|
N3
|
A:IRI103
|
2.1
|
45.4
|
0.6
|
N2
|
A:IRI103
|
2.1
|
30.1
|
0.6
|
N1
|
A:IRI103
|
2.1
|
49.0
|
0.6
|
N6
|
A:IRI103
|
2.1
|
37.1
|
0.6
|
O
|
A:HOH237
|
3.8
|
45.3
|
1.0
|
O6
|
A:G17
|
4.2
|
39.8
|
1.0
|
O4
|
A:U18
|
4.6
|
35.1
|
1.0
|
N7
|
A:G17
|
4.6
|
45.9
|
1.0
|
C6
|
A:G17
|
5.0
|
41.2
|
1.0
|
|
Iridium binding site 4 out
of 51 in 7kga
Go back to
Iridium Binding Sites List in 7kga
Iridium binding site 4 out
of 51 in the Crystal Structure of A Mosquito-Borne Flavivirus Dumbbell Rna
Mono view
Stereo pair view
|
A full contact list of Iridium with other atoms in the Ir binding
site number 4 of Crystal Structure of A Mosquito-Borne Flavivirus Dumbbell Rna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ir104
b:59.3
occ:0.60
|
IR
|
A:IRI104
|
0.0
|
59.3
|
0.6
|
N2
|
A:IRI104
|
1.3
|
56.5
|
0.4
|
N4
|
A:IRI104
|
2.1
|
60.4
|
0.6
|
N5
|
A:IRI104
|
2.1
|
54.8
|
0.6
|
N1
|
A:IRI104
|
2.1
|
60.6
|
0.6
|
N6
|
A:IRI104
|
2.1
|
54.6
|
0.6
|
N2
|
A:IRI104
|
2.1
|
52.4
|
0.6
|
N3
|
A:IRI104
|
2.1
|
47.8
|
0.6
|
N1
|
A:IRI104
|
2.4
|
61.1
|
0.4
|
IR
|
A:IRI104
|
2.4
|
71.4
|
0.4
|
N5
|
A:IRI104
|
2.8
|
60.2
|
0.4
|
OP1
|
A:G26
|
3.5
|
59.3
|
1.0
|
N6
|
A:IRI104
|
3.6
|
57.5
|
0.4
|
OP2
|
A:U22
|
3.8
|
30.4
|
1.0
|
OP2
|
A:C27
|
3.9
|
50.0
|
1.0
|
N3
|
A:IRI104
|
3.9
|
55.8
|
0.4
|
OP1
|
A:C27
|
4.1
|
59.0
|
1.0
|
O2'
|
A:A24
|
4.1
|
51.0
|
1.0
|
O
|
A:HOH232
|
4.2
|
37.5
|
1.0
|
N4
|
A:IRI104
|
4.4
|
64.0
|
0.4
|
P
|
A:C27
|
4.5
|
51.0
|
1.0
|
P
|
A:G26
|
4.7
|
64.6
|
1.0
|
P
|
A:U22
|
4.8
|
36.8
|
1.0
|
OP1
|
A:U22
|
4.8
|
39.4
|
1.0
|
OP2
|
A:C23
|
4.9
|
42.0
|
1.0
|
|
Iridium binding site 5 out
of 51 in 7kga
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Iridium Binding Sites List in 7kga
Iridium binding site 5 out
of 51 in the Crystal Structure of A Mosquito-Borne Flavivirus Dumbbell Rna
Mono view
Stereo pair view
|
A full contact list of Iridium with other atoms in the Ir binding
site number 5 of Crystal Structure of A Mosquito-Borne Flavivirus Dumbbell Rna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ir104
b:71.4
occ:0.40
|
IR
|
A:IRI104
|
0.0
|
71.4
|
0.4
|
N4
|
A:IRI104
|
1.3
|
60.4
|
0.6
|
N1
|
A:IRI104
|
2.1
|
61.1
|
0.4
|
N6
|
A:IRI104
|
2.1
|
57.5
|
0.4
|
N5
|
A:IRI104
|
2.1
|
60.2
|
0.4
|
N2
|
A:IRI104
|
2.1
|
56.5
|
0.4
|
N4
|
A:IRI104
|
2.1
|
64.0
|
0.4
|
N3
|
A:IRI104
|
2.1
|
55.8
|
0.4
|
N6
|
A:IRI104
|
2.2
|
54.6
|
0.6
|
IR
|
A:IRI104
|
2.4
|
59.3
|
0.6
|
N1
|
A:IRI104
|
3.0
|
60.6
|
0.6
|
N3
|
A:IRI104
|
3.4
|
47.8
|
0.6
|
OP1
|
A:G26
|
3.5
|
59.3
|
1.0
|
N5
|
A:IRI104
|
4.0
|
54.8
|
0.6
|
OP1
|
A:U22
|
4.0
|
39.4
|
1.0
|
OP2
|
A:A25
|
4.3
|
61.6
|
1.0
|
N2
|
A:IRI104
|
4.4
|
52.4
|
0.6
|
O2'
|
A:A24
|
4.4
|
51.0
|
1.0
|
OP2
|
A:U22
|
4.5
|
30.4
|
1.0
|
OP2
|
A:C23
|
4.6
|
42.0
|
1.0
|
O3'
|
A:A24
|
4.7
|
62.4
|
1.0
|
P
|
A:U22
|
4.8
|
36.8
|
1.0
|
P
|
A:G26
|
4.9
|
64.6
|
1.0
|
|
Iridium binding site 6 out
of 51 in 7kga
Go back to
Iridium Binding Sites List in 7kga
Iridium binding site 6 out
of 51 in the Crystal Structure of A Mosquito-Borne Flavivirus Dumbbell Rna
Mono view
Stereo pair view
|
A full contact list of Iridium with other atoms in the Ir binding
site number 6 of Crystal Structure of A Mosquito-Borne Flavivirus Dumbbell Rna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ir105
b:64.1
occ:0.52
|
IR
|
A:IRI105
|
0.0
|
64.1
|
0.5
|
N2
|
A:IRI105
|
2.1
|
58.6
|
0.5
|
N5
|
A:IRI105
|
2.1
|
50.8
|
0.5
|
N6
|
A:IRI105
|
2.1
|
55.2
|
0.5
|
N3
|
A:IRI105
|
2.1
|
66.3
|
0.5
|
N4
|
A:IRI105
|
2.1
|
46.3
|
0.5
|
N1
|
A:IRI105
|
2.1
|
52.9
|
0.5
|
O
|
A:HOH205
|
3.6
|
46.5
|
1.0
|
O
|
A:HOH216
|
4.0
|
52.5
|
1.0
|
N7
|
A:G87
|
4.3
|
37.5
|
1.0
|
O6
|
A:G87
|
4.4
|
29.7
|
1.0
|
N7
|
A:A86
|
4.9
|
40.7
|
1.0
|
N1
|
A:A24
|
5.0
|
50.5
|
1.0
|
|
Iridium binding site 7 out
of 51 in 7kga
Go back to
Iridium Binding Sites List in 7kga
Iridium binding site 7 out
of 51 in the Crystal Structure of A Mosquito-Borne Flavivirus Dumbbell Rna
Mono view
Stereo pair view
|
A full contact list of Iridium with other atoms in the Ir binding
site number 7 of Crystal Structure of A Mosquito-Borne Flavivirus Dumbbell Rna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ir106
b:44.3
occ:0.41
|
IR
|
A:IRI106
|
0.0
|
44.3
|
0.4
|
N2
|
A:IRI106
|
2.1
|
39.8
|
0.4
|
N5
|
A:IRI106
|
2.1
|
40.8
|
0.4
|
N4
|
A:IRI106
|
2.1
|
47.7
|
0.4
|
N3
|
A:IRI106
|
2.1
|
41.9
|
0.4
|
N1
|
A:IRI106
|
2.1
|
43.1
|
0.4
|
N6
|
A:IRI106
|
2.1
|
37.9
|
0.4
|
OP1
|
A:A61
|
3.7
|
38.9
|
1.0
|
OP2
|
A:G62
|
4.0
|
45.1
|
1.0
|
P
|
A:A61
|
4.8
|
40.4
|
1.0
|
OP2
|
A:A61
|
4.8
|
40.1
|
1.0
|
OP1
|
A:G62
|
4.9
|
49.0
|
1.0
|
P
|
A:G62
|
5.0
|
42.6
|
1.0
|
|
Iridium binding site 8 out
of 51 in 7kga
Go back to
Iridium Binding Sites List in 7kga
Iridium binding site 8 out
of 51 in the Crystal Structure of A Mosquito-Borne Flavivirus Dumbbell Rna
Mono view
Stereo pair view
|
A full contact list of Iridium with other atoms in the Ir binding
site number 8 of Crystal Structure of A Mosquito-Borne Flavivirus Dumbbell Rna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ir107
b:63.8
occ:0.39
|
IR
|
A:IRI107
|
0.0
|
63.8
|
0.4
|
N3
|
A:IRI107
|
2.1
|
50.2
|
0.4
|
N6
|
A:IRI107
|
2.1
|
58.8
|
0.4
|
N4
|
A:IRI107
|
2.1
|
48.6
|
0.4
|
N1
|
A:IRI107
|
2.1
|
43.4
|
0.4
|
N2
|
A:IRI107
|
2.1
|
43.8
|
0.4
|
N5
|
A:IRI107
|
2.1
|
42.9
|
0.4
|
N1
|
A:IRI107
|
2.6
|
41.2
|
0.6
|
N6
|
A:IRI107
|
3.1
|
54.6
|
0.6
|
IR
|
A:IRI107
|
3.9
|
52.5
|
0.6
|
N7
|
A:G4
|
4.1
|
25.3
|
1.0
|
O6
|
A:G4
|
4.2
|
21.9
|
1.0
|
N2
|
A:IRI107
|
4.3
|
43.0
|
0.6
|
N4
|
A:IRI107
|
4.5
|
40.0
|
0.6
|
O6
|
A:G5
|
4.5
|
20.4
|
1.0
|
C5
|
A:G4
|
4.8
|
22.3
|
1.0
|
C6
|
A:G4
|
4.9
|
20.7
|
1.0
|
|
Iridium binding site 9 out
of 51 in 7kga
Go back to
Iridium Binding Sites List in 7kga
Iridium binding site 9 out
of 51 in the Crystal Structure of A Mosquito-Borne Flavivirus Dumbbell Rna
Mono view
Stereo pair view
|
A full contact list of Iridium with other atoms in the Ir binding
site number 9 of Crystal Structure of A Mosquito-Borne Flavivirus Dumbbell Rna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ir107
b:52.5
occ:0.61
|
IR
|
A:IRI107
|
0.0
|
52.5
|
0.6
|
N1
|
A:IRI107
|
2.1
|
41.2
|
0.6
|
N2
|
A:IRI107
|
2.1
|
43.0
|
0.6
|
N6
|
A:IRI107
|
2.1
|
54.6
|
0.6
|
N4
|
A:IRI107
|
2.1
|
40.0
|
0.6
|
N5
|
A:IRI107
|
2.1
|
37.6
|
0.6
|
N3
|
A:IRI107
|
2.1
|
43.6
|
0.6
|
N3
|
A:IRI107
|
2.5
|
50.2
|
0.4
|
N5
|
A:IRI107
|
3.2
|
42.9
|
0.4
|
IR
|
A:IRI107
|
3.9
|
63.8
|
0.4
|
O6
|
A:G3
|
4.1
|
24.9
|
1.0
|
N2
|
A:IRI107
|
4.1
|
43.8
|
0.4
|
N7
|
A:G3
|
4.3
|
26.1
|
1.0
|
O
|
A:HOH233
|
4.6
|
23.6
|
1.0
|
N4
|
A:IRI107
|
4.7
|
48.6
|
0.4
|
O6
|
A:G4
|
4.8
|
21.9
|
1.0
|
C6
|
A:G3
|
4.9
|
21.7
|
1.0
|
N7
|
A:G2
|
4.9
|
24.4
|
1.0
|
O6
|
A:G2
|
4.9
|
22.3
|
1.0
|
C5
|
A:G3
|
5.0
|
22.4
|
1.0
|
|
Iridium binding site 10 out
of 51 in 7kga
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Iridium Binding Sites List in 7kga
Iridium binding site 10 out
of 51 in the Crystal Structure of A Mosquito-Borne Flavivirus Dumbbell Rna
Mono view
Stereo pair view
|
A full contact list of Iridium with other atoms in the Ir binding
site number 10 of Crystal Structure of A Mosquito-Borne Flavivirus Dumbbell Rna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ir108
b:136.1
occ:1.00
|
IR
|
A:IRI108
|
0.0
|
136.1
|
1.0
|
N2
|
A:IRI108
|
2.1
|
114.0
|
1.0
|
N3
|
A:IRI108
|
2.1
|
108.9
|
1.0
|
N1
|
A:IRI108
|
2.1
|
117.5
|
1.0
|
N4
|
A:IRI108
|
2.1
|
111.4
|
1.0
|
N5
|
A:IRI108
|
2.1
|
109.1
|
1.0
|
N6
|
A:IRI108
|
2.1
|
127.3
|
1.0
|
O6
|
A:G12
|
3.9
|
62.0
|
1.0
|
O
|
A:HOH201
|
3.9
|
46.3
|
1.0
|
N7
|
A:G12
|
4.3
|
63.9
|
1.0
|
O4
|
A:U13
|
4.4
|
61.8
|
1.0
|
C6
|
A:G12
|
4.6
|
60.9
|
1.0
|
C5
|
A:G12
|
4.8
|
63.5
|
1.0
|
O4
|
A:U11
|
4.9
|
63.4
|
1.0
|
|
Reference:
B.M.Akiyama,
M.E.Graham,
Z.O'donoghue,
J.D.Beckham,
J.S.Kieft.
Three-Dimensional Structure of A Flavivirus Dumbbell Rna Reveals Molecular Details of An Rna Regulator of Replication Nucleic Acids Res. 2021.
ISSN: ESSN 1362-4962
Page generated: Mon Aug 12 03:46:20 2024
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