Bromine in PDB 1kh6: Crystal Structure of An Rna Tertiary Domain Essential to Hcv Ires- Mediated Translation Initiation.
Protein crystallography data
The structure of Crystal Structure of An Rna Tertiary Domain Essential to Hcv Ires- Mediated Translation Initiation., PDB code: 1kh6
was solved by
J.S.Kieft,
K.Zhou,
A.Grech,
R.Jubin,
J.A.Doudna,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
50.00 /
2.90
|
Space group
|
P 42 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
66.532,
66.532,
95.850,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
28.3 /
27.9
|
Bromine Binding Sites:
The binding sites of Bromine atom in the Crystal Structure of An Rna Tertiary Domain Essential to Hcv Ires- Mediated Translation Initiation.
(pdb code 1kh6). This binding sites where shown within
5.0 Angstroms radius around Bromine atom.
In total 6 binding sites of Bromine where determined in the
Crystal Structure of An Rna Tertiary Domain Essential to Hcv Ires- Mediated Translation Initiation., PDB code: 1kh6:
Jump to Bromine binding site number:
1;
2;
3;
4;
5;
6;
Bromine binding site 1 out
of 6 in 1kh6
Go back to
Bromine Binding Sites List in 1kh6
Bromine binding site 1 out
of 6 in the Crystal Structure of An Rna Tertiary Domain Essential to Hcv Ires- Mediated Translation Initiation.
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 1 of Crystal Structure of An Rna Tertiary Domain Essential to Hcv Ires- Mediated Translation Initiation. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br16
b:0.7
occ:1.00
|
BR
|
A:5BU16
|
0.0
|
0.7
|
1.0
|
C5
|
A:5BU16
|
1.6
|
0.1
|
1.0
|
C6
|
A:5BU16
|
2.6
|
0.0
|
1.0
|
C4
|
A:5BU16
|
2.6
|
0.8
|
1.0
|
O4
|
A:5BU16
|
3.0
|
0.9
|
1.0
|
N1
|
A:5BU16
|
3.9
|
0.8
|
1.0
|
N3
|
A:5BU16
|
3.9
|
0.8
|
1.0
|
C2
|
A:5BU16
|
4.4
|
0.7
|
1.0
|
O4'
|
A:5BU16
|
5.0
|
0.8
|
1.0
|
|
Bromine binding site 2 out
of 6 in 1kh6
Go back to
Bromine Binding Sites List in 1kh6
Bromine binding site 2 out
of 6 in the Crystal Structure of An Rna Tertiary Domain Essential to Hcv Ires- Mediated Translation Initiation.
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 2 of Crystal Structure of An Rna Tertiary Domain Essential to Hcv Ires- Mediated Translation Initiation. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br26
b:46.6
occ:1.00
|
BR
|
A:5BU26
|
0.0
|
46.6
|
1.0
|
C5
|
A:5BU26
|
1.6
|
48.3
|
1.0
|
C6
|
A:5BU26
|
2.6
|
48.2
|
1.0
|
C4
|
A:5BU26
|
2.6
|
47.9
|
1.0
|
O4
|
A:5BU26
|
3.0
|
48.9
|
1.0
|
OP2
|
A:5BU26
|
3.1
|
63.9
|
1.0
|
C3'
|
A:A25
|
3.6
|
61.7
|
1.0
|
C8
|
A:A25
|
3.6
|
55.0
|
1.0
|
N1
|
A:5BU26
|
3.8
|
48.5
|
1.0
|
N3
|
A:5BU26
|
3.9
|
47.0
|
1.0
|
N9
|
A:A25
|
3.9
|
55.7
|
1.0
|
N7
|
A:A25
|
3.9
|
53.5
|
1.0
|
O5'
|
A:A25
|
3.9
|
67.5
|
1.0
|
C2'
|
A:A25
|
4.0
|
60.4
|
1.0
|
O5'
|
A:5BU26
|
4.0
|
60.9
|
1.0
|
P
|
A:5BU26
|
4.1
|
63.6
|
1.0
|
N4
|
A:C27
|
4.2
|
48.3
|
1.0
|
O3'
|
A:A25
|
4.3
|
63.2
|
1.0
|
C5
|
A:A25
|
4.4
|
53.0
|
1.0
|
C4
|
A:A25
|
4.4
|
53.9
|
1.0
|
OP2
|
A:A25
|
4.4
|
69.1
|
1.0
|
C2
|
A:5BU26
|
4.4
|
48.2
|
1.0
|
C1'
|
A:A25
|
4.4
|
58.0
|
1.0
|
C4'
|
A:A25
|
4.6
|
61.6
|
1.0
|
C5
|
A:C27
|
4.6
|
49.1
|
1.0
|
C4
|
A:C27
|
4.8
|
48.8
|
1.0
|
O4'
|
A:A25
|
4.8
|
59.0
|
1.0
|
P
|
A:A25
|
4.8
|
69.2
|
1.0
|
C5'
|
A:A25
|
4.8
|
63.9
|
1.0
|
O4'
|
A:5BU26
|
4.9
|
52.8
|
1.0
|
|
Bromine binding site 3 out
of 6 in 1kh6
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Bromine Binding Sites List in 1kh6
Bromine binding site 3 out
of 6 in the Crystal Structure of An Rna Tertiary Domain Essential to Hcv Ires- Mediated Translation Initiation.
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 3 of Crystal Structure of An Rna Tertiary Domain Essential to Hcv Ires- Mediated Translation Initiation. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br36
b:23.1
occ:1.00
|
BR
|
A:5BU36
|
0.0
|
23.1
|
1.0
|
C5
|
A:5BU36
|
1.6
|
29.0
|
1.0
|
C6
|
A:5BU36
|
2.5
|
31.4
|
1.0
|
C4
|
A:5BU36
|
2.6
|
30.7
|
1.0
|
O4
|
A:5BU36
|
2.9
|
34.7
|
1.0
|
OP2
|
A:5BU36
|
3.4
|
47.8
|
1.0
|
C8
|
A:A35
|
3.6
|
43.4
|
1.0
|
N7
|
A:A35
|
3.7
|
42.6
|
1.0
|
N3
|
A:5BU36
|
3.8
|
32.0
|
1.0
|
N1
|
A:5BU36
|
3.8
|
34.8
|
1.0
|
N9
|
A:A35
|
3.9
|
43.9
|
1.0
|
C5
|
A:A35
|
4.0
|
42.5
|
1.0
|
C3'
|
A:A35
|
4.1
|
48.9
|
1.0
|
C4
|
A:A35
|
4.1
|
43.0
|
1.0
|
C2'
|
A:A35
|
4.3
|
47.9
|
1.0
|
BR
|
A:5BU37
|
4.3
|
20.3
|
1.0
|
C2
|
A:5BU36
|
4.4
|
34.3
|
1.0
|
O5'
|
A:5BU36
|
4.4
|
46.7
|
1.0
|
P
|
A:5BU36
|
4.4
|
49.6
|
1.0
|
C1'
|
A:A35
|
4.6
|
46.6
|
1.0
|
C6
|
A:A35
|
4.7
|
43.2
|
1.0
|
O5'
|
A:A35
|
4.7
|
51.7
|
1.0
|
O3'
|
A:A35
|
4.8
|
48.6
|
1.0
|
O4
|
A:5BU37
|
4.9
|
37.6
|
1.0
|
N3
|
A:A35
|
4.9
|
43.6
|
1.0
|
|
Bromine binding site 4 out
of 6 in 1kh6
Go back to
Bromine Binding Sites List in 1kh6
Bromine binding site 4 out
of 6 in the Crystal Structure of An Rna Tertiary Domain Essential to Hcv Ires- Mediated Translation Initiation.
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 4 of Crystal Structure of An Rna Tertiary Domain Essential to Hcv Ires- Mediated Translation Initiation. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br37
b:20.3
occ:1.00
|
BR
|
A:5BU37
|
0.0
|
20.3
|
1.0
|
C5
|
A:5BU37
|
1.6
|
28.4
|
1.0
|
C6
|
A:5BU37
|
2.6
|
28.4
|
1.0
|
C4
|
A:5BU37
|
2.6
|
31.3
|
1.0
|
O4
|
A:5BU37
|
3.0
|
37.6
|
1.0
|
OP2
|
A:5BU37
|
3.4
|
38.5
|
1.0
|
C5
|
A:5BU36
|
3.7
|
29.0
|
1.0
|
C6
|
A:5BU36
|
3.8
|
31.4
|
1.0
|
N3
|
A:5BU37
|
3.8
|
31.3
|
1.0
|
N1
|
A:5BU37
|
3.8
|
30.6
|
1.0
|
C4
|
A:5BU36
|
3.9
|
30.7
|
1.0
|
N1
|
A:5BU36
|
4.0
|
34.8
|
1.0
|
N3
|
A:5BU36
|
4.1
|
32.0
|
1.0
|
C3'
|
A:5BU36
|
4.2
|
41.2
|
1.0
|
C2
|
A:5BU36
|
4.2
|
34.3
|
1.0
|
BR
|
A:5BU36
|
4.3
|
23.1
|
1.0
|
C2
|
A:5BU37
|
4.4
|
31.7
|
1.0
|
C2'
|
A:5BU36
|
4.4
|
40.5
|
1.0
|
O4
|
A:5BU36
|
4.4
|
34.7
|
1.0
|
O5'
|
A:5BU37
|
4.5
|
37.1
|
1.0
|
P
|
A:5BU37
|
4.5
|
40.6
|
1.0
|
O5'
|
A:5BU36
|
4.8
|
46.7
|
1.0
|
C1'
|
A:5BU36
|
4.8
|
38.0
|
1.0
|
O3'
|
A:5BU36
|
4.9
|
40.6
|
1.0
|
O2
|
A:5BU36
|
5.0
|
35.4
|
1.0
|
|
Bromine binding site 5 out
of 6 in 1kh6
Go back to
Bromine Binding Sites List in 1kh6
Bromine binding site 5 out
of 6 in the Crystal Structure of An Rna Tertiary Domain Essential to Hcv Ires- Mediated Translation Initiation.
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 5 of Crystal Structure of An Rna Tertiary Domain Essential to Hcv Ires- Mediated Translation Initiation. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br38
b:32.9
occ:1.00
|
BR
|
A:5BU38
|
0.0
|
32.9
|
1.0
|
C5
|
A:5BU38
|
1.6
|
38.3
|
1.0
|
C6
|
A:5BU38
|
2.6
|
38.8
|
1.0
|
C4
|
A:5BU38
|
2.6
|
40.3
|
1.0
|
O4
|
A:5BU38
|
3.0
|
44.0
|
1.0
|
O2
|
A:5BU37
|
3.5
|
32.2
|
1.0
|
C2
|
A:5BU37
|
3.7
|
31.7
|
1.0
|
C2'
|
A:5BU37
|
3.8
|
32.5
|
1.0
|
N3
|
A:5BU38
|
3.9
|
40.2
|
1.0
|
N1
|
A:5BU38
|
3.9
|
39.8
|
1.0
|
OP2
|
A:5BU38
|
4.0
|
33.4
|
1.0
|
N3
|
A:5BU37
|
4.0
|
31.3
|
1.0
|
N1
|
A:5BU37
|
4.2
|
30.6
|
1.0
|
C2
|
A:5BU38
|
4.4
|
39.4
|
1.0
|
O2'
|
A:5BU37
|
4.4
|
33.3
|
1.0
|
C1'
|
A:5BU37
|
4.5
|
31.4
|
1.0
|
C3'
|
A:5BU37
|
4.7
|
33.3
|
1.0
|
C4
|
A:5BU37
|
4.8
|
31.3
|
1.0
|
C6
|
A:5BU37
|
4.9
|
28.4
|
1.0
|
C2
|
A:A24
|
4.9
|
70.6
|
1.0
|
N1
|
A:A24
|
5.0
|
69.9
|
1.0
|
|
Bromine binding site 6 out
of 6 in 1kh6
Go back to
Bromine Binding Sites List in 1kh6
Bromine binding site 6 out
of 6 in the Crystal Structure of An Rna Tertiary Domain Essential to Hcv Ires- Mediated Translation Initiation.
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 6 of Crystal Structure of An Rna Tertiary Domain Essential to Hcv Ires- Mediated Translation Initiation. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br44
b:34.9
occ:1.00
|
BR
|
A:5BU44
|
0.0
|
34.9
|
1.0
|
C5
|
A:5BU44
|
1.6
|
39.7
|
1.0
|
C6
|
A:5BU44
|
2.6
|
40.1
|
1.0
|
C4
|
A:5BU44
|
2.7
|
40.8
|
1.0
|
O4
|
A:5BU44
|
3.0
|
43.4
|
1.0
|
N1
|
A:5BU44
|
3.9
|
40.5
|
1.0
|
N3
|
A:5BU44
|
3.9
|
41.1
|
1.0
|
O5'
|
A:5BU44
|
4.3
|
28.1
|
1.0
|
C2
|
A:5BU44
|
4.4
|
41.1
|
1.0
|
|
Reference:
J.S.Kieft,
K.Zhou,
A.Grech,
R.Jubin,
J.A.Doudna.
Crystal Structure of An Rna Tertiary Domain Essential to Hcv Ires-Mediated Translation Initiation. Nat.Struct.Biol. V. 9 370 2002.
ISSN: ISSN 1072-8368
PubMed: 11927953
DOI: 10.1038/NSB781
Page generated: Wed Jul 10 16:49:13 2024
|