Thallium in PDB 7q82: Crystal Structure of the Methyltransferase-Ribozyme 1, Thallium Derivative (with 1-Methyl-Adenosine)
Protein crystallography data
The structure of Crystal Structure of the Methyltransferase-Ribozyme 1, Thallium Derivative (with 1-Methyl-Adenosine), PDB code: 7q82
was solved by
M.Mieczkowski,
C.Hoebartner,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
43.59 /
2.95
|
Space group
|
P 41 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
71.983,
71.983,
84.45,
90,
90,
90
|
R / Rfree (%)
|
20.9 /
22.5
|
Other elements in 7q82:
The structure of Crystal Structure of the Methyltransferase-Ribozyme 1, Thallium Derivative (with 1-Methyl-Adenosine) also contains other interesting chemical elements:
Thallium Binding Sites:
The binding sites of Thallium atom in the Crystal Structure of the Methyltransferase-Ribozyme 1, Thallium Derivative (with 1-Methyl-Adenosine)
(pdb code 7q82). This binding sites where shown within
5.0 Angstroms radius around Thallium atom.
In total 10 binding sites of Thallium where determined in the
Crystal Structure of the Methyltransferase-Ribozyme 1, Thallium Derivative (with 1-Methyl-Adenosine), PDB code: 7q82:
Jump to Thallium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Thallium binding site 1 out
of 10 in 7q82
Go back to
Thallium Binding Sites List in 7q82
Thallium binding site 1 out
of 10 in the Crystal Structure of the Methyltransferase-Ribozyme 1, Thallium Derivative (with 1-Methyl-Adenosine)
Mono view
Stereo pair view
|
A full contact list of Thallium with other atoms in the Tl binding
site number 1 of Crystal Structure of the Methyltransferase-Ribozyme 1, Thallium Derivative (with 1-Methyl-Adenosine) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Tl101
b:126.4
occ:0.77
|
N3
|
B:C16
|
2.5
|
114.5
|
1.0
|
O2
|
B:C16
|
3.2
|
113.6
|
1.0
|
C2
|
B:C16
|
3.2
|
114.0
|
1.0
|
C4
|
B:C16
|
3.4
|
101.0
|
1.0
|
N4
|
B:C16
|
3.6
|
120.9
|
1.0
|
N1
|
B:A15
|
3.6
|
99.6
|
1.0
|
N6
|
B:A15
|
3.9
|
103.2
|
1.0
|
C6
|
B:A15
|
4.1
|
96.5
|
1.0
|
C2
|
B:A15
|
4.4
|
108.0
|
1.0
|
N1
|
B:C16
|
4.5
|
93.0
|
1.0
|
C5
|
B:C16
|
4.7
|
97.3
|
1.0
|
|
Thallium binding site 2 out
of 10 in 7q82
Go back to
Thallium Binding Sites List in 7q82
Thallium binding site 2 out
of 10 in the Crystal Structure of the Methyltransferase-Ribozyme 1, Thallium Derivative (with 1-Methyl-Adenosine)
Mono view
Stereo pair view
|
A full contact list of Thallium with other atoms in the Tl binding
site number 2 of Crystal Structure of the Methyltransferase-Ribozyme 1, Thallium Derivative (with 1-Methyl-Adenosine) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Tl102
b:192.8
occ:0.53
|
O6
|
B:G2
|
2.8
|
147.3
|
1.0
|
N7
|
B:G2
|
2.8
|
141.9
|
1.0
|
C6
|
B:G2
|
3.4
|
153.5
|
1.0
|
C5
|
B:G2
|
3.4
|
147.7
|
1.0
|
O6
|
B:G1
|
4.0
|
159.4
|
1.0
|
C8
|
B:G2
|
4.0
|
138.1
|
1.0
|
C6
|
B:G1
|
4.0
|
155.6
|
1.0
|
C5
|
B:G1
|
4.1
|
153.7
|
1.0
|
N7
|
B:G1
|
4.2
|
155.6
|
1.0
|
N6
|
B:A3
|
4.3
|
149.1
|
1.0
|
N1
|
B:G1
|
4.7
|
150.9
|
1.0
|
TL
|
B:TL105
|
4.7
|
317.5
|
1.0
|
C4
|
B:G2
|
4.8
|
140.1
|
1.0
|
N1
|
B:G2
|
4.8
|
151.1
|
1.0
|
C4
|
B:G1
|
4.9
|
146.0
|
1.0
|
C8
|
B:G1
|
4.9
|
133.3
|
1.0
|
|
Thallium binding site 3 out
of 10 in 7q82
Go back to
Thallium Binding Sites List in 7q82
Thallium binding site 3 out
of 10 in the Crystal Structure of the Methyltransferase-Ribozyme 1, Thallium Derivative (with 1-Methyl-Adenosine)
Mono view
Stereo pair view
|
A full contact list of Thallium with other atoms in the Tl binding
site number 3 of Crystal Structure of the Methyltransferase-Ribozyme 1, Thallium Derivative (with 1-Methyl-Adenosine) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Tl103
b:137.7
occ:0.30
|
O6
|
B:G14
|
3.1
|
92.9
|
1.0
|
N7
|
B:G14
|
3.6
|
105.7
|
1.0
|
C6
|
B:G14
|
3.9
|
87.2
|
1.0
|
N4
|
B:C13
|
4.0
|
97.0
|
1.0
|
C5
|
B:G14
|
4.1
|
88.2
|
1.0
|
C5
|
B:C13
|
4.3
|
84.3
|
1.0
|
C4
|
B:C13
|
4.3
|
98.8
|
1.0
|
C2
|
C:A33
|
4.6
|
88.0
|
1.0
|
N1
|
C:A33
|
4.7
|
94.0
|
1.0
|
C8
|
B:G14
|
4.7
|
99.0
|
1.0
|
|
Thallium binding site 4 out
of 10 in 7q82
Go back to
Thallium Binding Sites List in 7q82
Thallium binding site 4 out
of 10 in the Crystal Structure of the Methyltransferase-Ribozyme 1, Thallium Derivative (with 1-Methyl-Adenosine)
Mono view
Stereo pair view
|
A full contact list of Thallium with other atoms in the Tl binding
site number 4 of Crystal Structure of the Methyltransferase-Ribozyme 1, Thallium Derivative (with 1-Methyl-Adenosine) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Tl104
b:128.5
occ:0.30
|
N7
|
B:G22
|
2.4
|
94.7
|
1.0
|
O6
|
B:G22
|
2.8
|
103.5
|
1.0
|
C5
|
B:G22
|
3.1
|
93.8
|
1.0
|
C6
|
B:G22
|
3.3
|
99.3
|
1.0
|
N7
|
B:A21
|
3.4
|
89.0
|
1.0
|
C8
|
B:G22
|
3.6
|
104.0
|
1.0
|
C5
|
B:A21
|
3.7
|
90.3
|
1.0
|
N6
|
B:A21
|
4.0
|
93.9
|
1.0
|
C6
|
B:A21
|
4.0
|
96.7
|
1.0
|
C8
|
B:A21
|
4.1
|
94.5
|
1.0
|
N4
|
B:C23
|
4.1
|
111.6
|
1.0
|
C4
|
B:G22
|
4.5
|
95.2
|
1.0
|
C4
|
B:A21
|
4.5
|
80.9
|
1.0
|
N9
|
B:G22
|
4.7
|
96.0
|
1.0
|
N1
|
B:G22
|
4.7
|
100.1
|
1.0
|
C4
|
B:C23
|
4.7
|
110.2
|
1.0
|
N9
|
B:A21
|
4.7
|
75.8
|
1.0
|
C5
|
B:C23
|
4.9
|
124.8
|
1.0
|
N1
|
B:A21
|
5.0
|
94.2
|
1.0
|
|
Thallium binding site 5 out
of 10 in 7q82
Go back to
Thallium Binding Sites List in 7q82
Thallium binding site 5 out
of 10 in the Crystal Structure of the Methyltransferase-Ribozyme 1, Thallium Derivative (with 1-Methyl-Adenosine)
Mono view
Stereo pair view
|
A full contact list of Thallium with other atoms in the Tl binding
site number 5 of Crystal Structure of the Methyltransferase-Ribozyme 1, Thallium Derivative (with 1-Methyl-Adenosine) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Tl105
b:317.5
occ:1.00
|
N7
|
B:G1
|
2.7
|
155.6
|
1.0
|
O6
|
B:G1
|
3.6
|
159.4
|
1.0
|
C5
|
B:G1
|
3.7
|
153.7
|
1.0
|
C8
|
B:G1
|
3.7
|
133.3
|
1.0
|
C6
|
B:G1
|
4.0
|
155.6
|
1.0
|
TL
|
B:TL102
|
4.7
|
192.8
|
0.5
|
C4
|
B:G1
|
4.9
|
146.0
|
1.0
|
N9
|
B:G1
|
4.9
|
126.7
|
1.0
|
|
Thallium binding site 6 out
of 10 in 7q82
Go back to
Thallium Binding Sites List in 7q82
Thallium binding site 6 out
of 10 in the Crystal Structure of the Methyltransferase-Ribozyme 1, Thallium Derivative (with 1-Methyl-Adenosine)
Mono view
Stereo pair view
|
A full contact list of Thallium with other atoms in the Tl binding
site number 6 of Crystal Structure of the Methyltransferase-Ribozyme 1, Thallium Derivative (with 1-Methyl-Adenosine) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Tl102
b:142.7
occ:0.72
|
O6
|
C:G30
|
2.2
|
106.4
|
1.0
|
N7
|
C:G30
|
2.8
|
100.0
|
1.0
|
C6
|
C:G30
|
3.0
|
90.2
|
1.0
|
O6
|
C:G29
|
3.2
|
95.7
|
1.0
|
C5
|
C:G30
|
3.2
|
90.4
|
1.0
|
C6
|
C:G29
|
3.4
|
95.7
|
1.0
|
N6
|
C:A31
|
3.7
|
74.9
|
1.0
|
C5
|
C:G29
|
3.7
|
92.5
|
1.0
|
N7
|
C:G29
|
3.8
|
106.2
|
1.0
|
C8
|
C:G30
|
4.1
|
95.5
|
1.0
|
N1
|
C:G29
|
4.2
|
85.2
|
1.0
|
C6
|
C:A31
|
4.3
|
85.5
|
1.0
|
N1
|
C:G30
|
4.3
|
80.2
|
1.0
|
TL
|
C:TL105
|
4.4
|
149.5
|
0.6
|
C4
|
C:G30
|
4.6
|
88.7
|
1.0
|
C4
|
C:G29
|
4.6
|
78.1
|
1.0
|
C8
|
C:G29
|
4.8
|
85.1
|
1.0
|
C5
|
C:A31
|
4.8
|
83.7
|
1.0
|
N7
|
C:A31
|
4.9
|
92.4
|
1.0
|
N1
|
C:A31
|
5.0
|
92.1
|
1.0
|
|
Thallium binding site 7 out
of 10 in 7q82
Go back to
Thallium Binding Sites List in 7q82
Thallium binding site 7 out
of 10 in the Crystal Structure of the Methyltransferase-Ribozyme 1, Thallium Derivative (with 1-Methyl-Adenosine)
Mono view
Stereo pair view
|
A full contact list of Thallium with other atoms in the Tl binding
site number 7 of Crystal Structure of the Methyltransferase-Ribozyme 1, Thallium Derivative (with 1-Methyl-Adenosine) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Tl103
b:118.9
occ:0.22
|
OP2
|
C:G38
|
2.4
|
114.8
|
1.0
|
O4
|
C:U42
|
3.1
|
118.5
|
1.0
|
P
|
C:G38
|
3.4
|
120.7
|
1.0
|
OP1
|
C:G38
|
3.4
|
120.7
|
1.0
|
C5
|
C:U42
|
3.5
|
121.4
|
1.0
|
C2
|
C:A41
|
3.6
|
119.7
|
1.0
|
C4
|
C:U42
|
3.6
|
119.6
|
1.0
|
OP2
|
C:A41
|
3.8
|
113.0
|
1.0
|
N1
|
C:A41
|
4.3
|
128.1
|
1.0
|
N3
|
C:A41
|
4.3
|
110.2
|
1.0
|
O5'
|
C:G38
|
4.4
|
99.9
|
1.0
|
O3'
|
C:A37
|
4.5
|
100.4
|
1.0
|
C5'
|
C:A41
|
4.7
|
100.6
|
1.0
|
C6
|
C:U42
|
4.7
|
120.8
|
1.0
|
C5'
|
C:G38
|
4.9
|
88.3
|
1.0
|
N3
|
C:U42
|
4.9
|
107.6
|
1.0
|
OP2
|
C:C40
|
5.0
|
89.5
|
1.0
|
|
Thallium binding site 8 out
of 10 in 7q82
Go back to
Thallium Binding Sites List in 7q82
Thallium binding site 8 out
of 10 in the Crystal Structure of the Methyltransferase-Ribozyme 1, Thallium Derivative (with 1-Methyl-Adenosine)
Mono view
Stereo pair view
|
A full contact list of Thallium with other atoms in the Tl binding
site number 8 of Crystal Structure of the Methyltransferase-Ribozyme 1, Thallium Derivative (with 1-Methyl-Adenosine) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Tl104
b:194.9
occ:0.50
|
N7
|
C:G46
|
2.4
|
125.5
|
1.0
|
O6
|
C:G46
|
2.8
|
108.7
|
1.0
|
C5
|
C:G46
|
3.1
|
113.9
|
1.0
|
O4
|
C:U47
|
3.1
|
114.0
|
1.0
|
C6
|
C:G46
|
3.3
|
108.9
|
1.0
|
C8
|
C:G46
|
3.6
|
122.5
|
1.0
|
N7
|
C:A45
|
3.6
|
118.8
|
1.0
|
C5
|
C:A45
|
3.7
|
110.8
|
1.0
|
N6
|
C:A45
|
3.8
|
112.3
|
1.0
|
C6
|
C:A45
|
3.8
|
119.6
|
1.0
|
C4
|
C:U47
|
3.8
|
128.0
|
1.0
|
C8
|
C:A45
|
4.3
|
123.8
|
1.0
|
C5
|
C:U47
|
4.4
|
135.8
|
1.0
|
C4
|
C:G46
|
4.4
|
111.9
|
1.0
|
C4
|
C:A45
|
4.5
|
110.0
|
1.0
|
N1
|
C:A45
|
4.6
|
121.8
|
1.0
|
N9
|
C:G46
|
4.6
|
118.5
|
1.0
|
N1
|
C:G46
|
4.6
|
105.5
|
1.0
|
N3
|
C:U47
|
4.7
|
122.8
|
1.0
|
N9
|
C:A45
|
4.8
|
123.4
|
1.0
|
|
Thallium binding site 9 out
of 10 in 7q82
Go back to
Thallium Binding Sites List in 7q82
Thallium binding site 9 out
of 10 in the Crystal Structure of the Methyltransferase-Ribozyme 1, Thallium Derivative (with 1-Methyl-Adenosine)
Mono view
Stereo pair view
|
A full contact list of Thallium with other atoms in the Tl binding
site number 9 of Crystal Structure of the Methyltransferase-Ribozyme 1, Thallium Derivative (with 1-Methyl-Adenosine) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Tl105
b:149.5
occ:0.57
|
O6
|
C:G29
|
2.8
|
95.7
|
1.0
|
O6
|
C:G28
|
3.0
|
126.7
|
1.0
|
N7
|
C:G28
|
3.3
|
118.3
|
1.0
|
C6
|
C:G28
|
3.5
|
106.4
|
1.0
|
C5
|
C:G28
|
3.6
|
101.0
|
1.0
|
N7
|
C:G29
|
3.7
|
106.2
|
1.0
|
C6
|
C:G29
|
3.7
|
95.7
|
1.0
|
O4
|
C:U27
|
4.0
|
104.0
|
1.0
|
C5
|
C:G29
|
4.0
|
92.5
|
1.0
|
C4
|
C:U27
|
4.3
|
94.2
|
1.0
|
C8
|
C:G28
|
4.4
|
96.4
|
1.0
|
TL
|
C:TL102
|
4.4
|
142.7
|
0.7
|
C5
|
C:U27
|
4.5
|
106.0
|
1.0
|
N1
|
C:G28
|
4.8
|
86.0
|
1.0
|
C4
|
C:G28
|
4.9
|
81.5
|
1.0
|
C8
|
C:G29
|
4.9
|
85.1
|
1.0
|
N1
|
C:G29
|
5.0
|
85.2
|
1.0
|
N3
|
C:U27
|
5.0
|
100.5
|
1.0
|
|
Thallium binding site 10 out
of 10 in 7q82
Go back to
Thallium Binding Sites List in 7q82
Thallium binding site 10 out
of 10 in the Crystal Structure of the Methyltransferase-Ribozyme 1, Thallium Derivative (with 1-Methyl-Adenosine)
Mono view
Stereo pair view
|
A full contact list of Thallium with other atoms in the Tl binding
site number 10 of Crystal Structure of the Methyltransferase-Ribozyme 1, Thallium Derivative (with 1-Methyl-Adenosine) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Tl106
b:177.5
occ:0.37
|
O2'
|
A:1MA7
|
2.3
|
150.0
|
1.0
|
OP2
|
C:C35
|
2.9
|
127.4
|
1.0
|
O3'
|
C:A34
|
3.1
|
120.4
|
1.0
|
C2'
|
A:1MA7
|
3.6
|
136.2
|
1.0
|
P
|
C:C35
|
3.6
|
117.4
|
1.0
|
OP2
|
A:G8
|
3.7
|
141.8
|
1.0
|
O2'
|
C:A34
|
3.8
|
128.5
|
1.0
|
O3'
|
A:1MA7
|
3.8
|
126.3
|
1.0
|
C3'
|
A:1MA7
|
4.0
|
144.7
|
1.0
|
O5'
|
C:C35
|
4.2
|
112.3
|
1.0
|
C3'
|
C:A34
|
4.3
|
113.2
|
1.0
|
P
|
A:G8
|
4.4
|
124.4
|
1.0
|
C2'
|
C:A34
|
4.4
|
113.0
|
1.0
|
C1'
|
C:A34
|
4.6
|
105.8
|
1.0
|
C1'
|
A:1MA7
|
4.7
|
116.9
|
1.0
|
OP1
|
C:C35
|
4.9
|
123.2
|
1.0
|
|
Reference:
C.P.M.Scheitl,
M.Mieczkowski,
H.Schindelin,
C.Hobartner.
Structure and Mechanism of the Methyltransferase Ribozyme MTR1. Nat.Chem.Biol. V. 18 547 2022.
ISSN: ESSN 1552-4469
PubMed: 35301481
DOI: 10.1038/S41589-022-00976-X
Page generated: Fri Oct 11 10:24:38 2024
|