Magnesium in PDB 1f27: Crystal Structure of A Biotin-Binding Rna Pseudoknot
Protein crystallography data
The structure of Crystal Structure of A Biotin-Binding Rna Pseudoknot, PDB code: 1f27
was solved by
J.Nix,
D.Sussman,
C.Wilson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
17.18 /
1.30
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
47.590,
30.960,
62.110,
90.00,
111.88,
90.00
|
R / Rfree (%)
|
19.9 /
23.8
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of A Biotin-Binding Rna Pseudoknot
(pdb code 1f27). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the
Crystal Structure of A Biotin-Binding Rna Pseudoknot, PDB code: 1f27:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
Magnesium binding site 1 out
of 6 in 1f27
Go back to
Magnesium Binding Sites List in 1f27
Magnesium binding site 1 out
of 6 in the Crystal Structure of A Biotin-Binding Rna Pseudoknot
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Crystal Structure of A Biotin-Binding Rna Pseudoknot within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg34
b:8.6
occ:0.49
|
O
|
A:HOH200
|
2.0
|
13.9
|
0.7
|
O
|
A:HOH201
|
2.0
|
14.3
|
0.7
|
O
|
A:HOH171
|
2.0
|
26.4
|
1.0
|
O
|
A:HOH163
|
2.1
|
15.4
|
1.0
|
O
|
A:HOH43
|
2.2
|
10.0
|
1.0
|
O
|
A:HOH199
|
2.5
|
14.2
|
0.4
|
O6
|
A:G19
|
4.0
|
9.8
|
1.0
|
O
|
A:HOH83
|
4.1
|
16.8
|
0.8
|
O
|
A:HOH103
|
4.2
|
19.9
|
0.8
|
N7
|
A:G18
|
4.2
|
9.2
|
1.0
|
N7
|
A:G19
|
4.4
|
8.4
|
1.0
|
O6
|
A:G18
|
4.4
|
9.1
|
1.0
|
O
|
A:HOH198
|
4.5
|
12.4
|
1.0
|
O
|
A:HOH197
|
4.6
|
13.9
|
0.5
|
C6
|
A:G19
|
4.9
|
9.0
|
1.0
|
C5
|
A:G18
|
4.9
|
7.5
|
1.0
|
|
Magnesium binding site 2 out
of 6 in 1f27
Go back to
Magnesium Binding Sites List in 1f27
Magnesium binding site 2 out
of 6 in the Crystal Structure of A Biotin-Binding Rna Pseudoknot
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Crystal Structure of A Biotin-Binding Rna Pseudoknot within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg35
b:19.3
occ:0.89
|
O
|
A:HOH164
|
2.0
|
15.5
|
1.0
|
O
|
A:HOH173
|
2.1
|
29.0
|
0.9
|
O
|
A:HOH162
|
2.1
|
13.6
|
1.0
|
O4
|
A:U7
|
2.3
|
13.8
|
1.0
|
C4
|
A:U7
|
3.3
|
10.9
|
1.0
|
C5
|
A:U7
|
3.8
|
10.5
|
1.0
|
O
|
A:HOH205
|
3.9
|
35.4
|
1.0
|
O
|
A:HOH93
|
3.9
|
22.3
|
0.9
|
O6
|
A:G6
|
4.0
|
10.3
|
1.0
|
N7
|
A:G6
|
4.1
|
8.3
|
1.0
|
O
|
A:HOH45
|
4.3
|
15.1
|
1.0
|
O
|
A:HOH63
|
4.3
|
16.4
|
0.8
|
O
|
A:HOH129
|
4.3
|
29.6
|
0.8
|
N6
|
A:A16
|
4.4
|
14.3
|
1.0
|
N3
|
A:U7
|
4.5
|
11.2
|
1.0
|
C6
|
A:G6
|
4.6
|
9.0
|
1.0
|
C5
|
A:G6
|
4.7
|
6.6
|
1.0
|
O
|
A:HOH101
|
4.7
|
24.2
|
1.0
|
O
|
A:HOH55
|
4.9
|
15.6
|
0.8
|
|
Magnesium binding site 3 out
of 6 in 1f27
Go back to
Magnesium Binding Sites List in 1f27
Magnesium binding site 3 out
of 6 in the Crystal Structure of A Biotin-Binding Rna Pseudoknot
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Crystal Structure of A Biotin-Binding Rna Pseudoknot within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg36
b:15.2
occ:0.92
|
OP2
|
A:A9
|
2.0
|
14.9
|
1.0
|
O
|
A:HOH165
|
2.0
|
14.9
|
1.0
|
O
|
A:HOH168
|
2.1
|
20.2
|
1.0
|
O
|
A:HOH167
|
2.1
|
17.7
|
1.0
|
O
|
A:HOH65
|
2.2
|
14.2
|
0.8
|
O
|
A:HOH166
|
2.2
|
19.0
|
1.0
|
P
|
A:A9
|
3.4
|
13.1
|
1.0
|
O
|
A:HOH42
|
3.6
|
12.7
|
1.0
|
O
|
A:HOH44
|
3.9
|
16.3
|
1.0
|
N7
|
A:G12
|
4.1
|
14.3
|
1.0
|
O
|
A:HOH86
|
4.1
|
28.0
|
1.0
|
OP1
|
A:A9
|
4.2
|
15.9
|
1.0
|
O5'
|
A:A9
|
4.3
|
16.5
|
1.0
|
O
|
A:HOH211
|
4.3
|
39.6
|
1.0
|
O
|
A:HOH183
|
4.3
|
38.8
|
1.0
|
C5'
|
A:A9
|
4.3
|
21.4
|
1.0
|
OP2
|
A:G12
|
4.4
|
30.0
|
1.0
|
O
|
A:HOH73
|
4.4
|
15.9
|
0.7
|
O3'
|
A:C8
|
4.4
|
13.1
|
1.0
|
N7
|
A:G13
|
4.7
|
15.3
|
1.0
|
C8
|
A:G12
|
4.7
|
16.7
|
1.0
|
OP2
|
A:A11
|
4.8
|
30.0
|
1.0
|
|
Magnesium binding site 4 out
of 6 in 1f27
Go back to
Magnesium Binding Sites List in 1f27
Magnesium binding site 4 out
of 6 in the Crystal Structure of A Biotin-Binding Rna Pseudoknot
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Crystal Structure of A Biotin-Binding Rna Pseudoknot within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg37
b:52.2
occ:1.00
|
OP2
|
A:C8
|
1.9
|
15.1
|
1.0
|
O
|
A:HOH203
|
2.0
|
17.8
|
0.5
|
O
|
A:HOH202
|
2.0
|
18.2
|
0.5
|
O
|
A:HOH172
|
2.1
|
23.7
|
0.8
|
O
|
A:HOH170
|
2.2
|
20.5
|
1.0
|
O
|
A:HOH105
|
2.3
|
18.1
|
0.7
|
P
|
A:C8
|
3.3
|
13.9
|
1.0
|
O
|
B:HOH187
|
3.9
|
43.9
|
1.0
|
O
|
B:HOH46
|
4.0
|
17.6
|
1.0
|
C5'
|
A:C8
|
4.0
|
12.7
|
1.0
|
O
|
B:HOH53
|
4.0
|
15.4
|
1.0
|
O
|
B:HOH208
|
4.1
|
45.2
|
1.0
|
OP1
|
A:C8
|
4.1
|
14.0
|
1.0
|
O5'
|
A:C8
|
4.1
|
12.7
|
1.0
|
O3'
|
A:U7
|
4.3
|
12.2
|
1.0
|
O
|
A:HOH78
|
4.6
|
39.8
|
1.0
|
C3'
|
A:U7
|
4.6
|
11.2
|
1.0
|
O
|
A:HOH139
|
4.7
|
35.3
|
1.0
|
O
|
B:HOH122
|
4.7
|
35.9
|
1.0
|
C5'
|
A:U7
|
4.7
|
11.3
|
1.0
|
C4'
|
A:U7
|
4.7
|
11.2
|
1.0
|
|
Magnesium binding site 5 out
of 6 in 1f27
Go back to
Magnesium Binding Sites List in 1f27
Magnesium binding site 5 out
of 6 in the Crystal Structure of A Biotin-Binding Rna Pseudoknot
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Crystal Structure of A Biotin-Binding Rna Pseudoknot within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg39
b:13.4
occ:0.64
|
O
|
A:HOH198
|
2.0
|
12.4
|
1.0
|
O
|
A:HOH169
|
2.0
|
26.7
|
1.0
|
O
|
A:HOH197
|
2.2
|
13.9
|
0.5
|
O
|
A:HOH137
|
3.9
|
39.7
|
1.0
|
O
|
A:HOH61
|
3.9
|
19.1
|
1.0
|
O
|
A:HOH199
|
3.9
|
14.2
|
0.4
|
O4
|
A:U20
|
4.2
|
9.2
|
1.0
|
O
|
A:HOH43
|
4.3
|
10.0
|
1.0
|
O4
|
A:U21
|
4.4
|
9.7
|
1.0
|
C4
|
A:U20
|
5.0
|
8.1
|
1.0
|
|
Magnesium binding site 6 out
of 6 in 1f27
Go back to
Magnesium Binding Sites List in 1f27
Magnesium binding site 6 out
of 6 in the Crystal Structure of A Biotin-Binding Rna Pseudoknot
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Crystal Structure of A Biotin-Binding Rna Pseudoknot within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg38
b:8.3
occ:0.93
|
OP2
|
B:A25
|
2.0
|
10.2
|
1.0
|
O
|
B:HOH158
|
2.0
|
9.2
|
1.0
|
O
|
A:HOH160
|
2.1
|
9.3
|
1.0
|
O3
|
A:BTN33
|
2.1
|
11.3
|
1.0
|
O
|
B:HOH161
|
2.1
|
9.7
|
0.9
|
O
|
A:HOH159
|
2.1
|
10.9
|
1.0
|
C3
|
A:BTN33
|
3.1
|
10.9
|
1.0
|
P
|
B:A25
|
3.3
|
11.3
|
1.0
|
N1
|
A:BTN33
|
3.6
|
12.1
|
1.0
|
O5'
|
B:A25
|
3.7
|
11.7
|
1.0
|
N7
|
B:A26
|
4.0
|
10.7
|
1.0
|
O2'
|
A:G6
|
4.1
|
9.4
|
1.0
|
OP1
|
B:A25
|
4.1
|
15.1
|
1.0
|
O
|
B:HOH40
|
4.1
|
9.0
|
0.9
|
N2
|
A:G6
|
4.2
|
8.5
|
1.0
|
N3
|
A:G6
|
4.3
|
7.4
|
1.0
|
C8
|
B:A25
|
4.3
|
9.7
|
1.0
|
N7
|
B:A25
|
4.3
|
8.8
|
1.0
|
OP2
|
B:A24
|
4.3
|
10.9
|
1.0
|
N2
|
A:BTN33
|
4.3
|
12.6
|
1.0
|
O
|
B:HOH60
|
4.3
|
18.4
|
1.0
|
OP2
|
B:A26
|
4.4
|
13.0
|
1.0
|
N6
|
B:A26
|
4.5
|
10.3
|
1.0
|
O3'
|
B:A24
|
4.5
|
10.5
|
1.0
|
O
|
A:HOH58
|
4.6
|
15.3
|
0.8
|
C2
|
A:G6
|
4.7
|
6.6
|
1.0
|
C3'
|
B:A24
|
4.8
|
10.4
|
1.0
|
O
|
B:HOH53
|
4.8
|
15.4
|
1.0
|
C2'
|
A:G6
|
4.9
|
8.2
|
1.0
|
C8
|
B:A26
|
5.0
|
11.2
|
1.0
|
C5
|
B:A26
|
5.0
|
10.4
|
1.0
|
|
Reference:
J.Nix,
D.Sussman,
C.Wilson.
The 1.3 A Crystal Structure of A Biotin-Binding Pseudoknot and the Basis For Rna Molecular Recognition. J.Mol.Biol. V. 296 1235 2000.
ISSN: ISSN 0022-2836
PubMed: 10698630
DOI: 10.1006/JMBI.2000.3539
Page generated: Tue Aug 13 03:06:11 2024
|